ピーク情報
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Peak #5379 MN MID: SE113_S050182_M90 |
m/z: 339.12258, RT: 65.63, 強度: 26104, ログ強度: 1.07, アダクト: [M+H]+, 共有数(同様のピークを含むサンプル数): 2 |
DB検索結果: (78 names) 5,7,4'-Trihydroxy-3'-prenylisoflavone;3,5,7-Trihydroxy-6-prenylflavone;Demethoxycurcumin;Rubiginone A1;Ugonin T;(-)-Ugonin T;6-(1,1-Dimethylallyl)genistein;Glepidotin A;Capitellataquinone C;(-)-Capite... |
DBごとのヒット数: ALL 65 KG 10 KN 51 HM 3 LM 1 |
FlavonoidSearch最大スコア MS2: 0.100, MS3: 0.294 |
DB検索結果
ppm
組成式 | 分子量 | 誤差(Δppm) | 候補化合物名(代表で最短名を記載) | 化合物ID |
---|---|---|---|---|
C20H18O5 | 338.11542 | -0.351 | Isowighteone | FlavonoidViewer: FLIAAANI0005 HMDB: HMDB0037920 KNApSAcK: C00009831 LipidMAPS: LMPK12050192 |
C20H18O5 | 338.11542 | -0.351 | 3,5,7-Trihydroxy-6-prenylflavone | FlavonoidViewer: FL5FA9NI0002 KEGG: C11576 KNApSAcK: C00004988 LipidMAPS: LMPK12111640 |
C20H18O5 | 338.11542 | -0.351 | Demethoxycurcumin | HMDB: HMDB0033801 KNApSAcK: C00033297, C00037023 |
C20H18O5 | 338.11542 | -0.351 | Rubiginone A1 | KNApSAcK: C00017612 |
C20H18O5 | 338.11542 | -0.351 | Ugonin T | KNApSAcK: C00048223 |
C20H18O5 | 338.11542 | -0.351 | 6-(1,1-Dimethylallyl)genistein | FlavonoidViewer: FLIAAANI0002 KNApSAcK: C00009494 LipidMAPS: LMPK12050189 |
C20H18O5 | 338.11542 | -0.351 | Glepidotin A | FlavonoidViewer: FL5FA9NI0001 KEGG: C10049 KNApSAcK: C00001045 LipidMAPS: LMPK12111639 |
C20H18O5 | 338.11542 | -0.351 | Capitellataquinone C | KNApSAcK: C00035555 |
C20H18O5 | 338.11542 | -0.351 | (-)-Glyceollin I | FlavonoidViewer: FLIDHXNP0001 HMDB: HMDB0033901 KEGG: C01701 KNApSAcK: C00002530 LipidMAPS: LMPK12070123 |
C20H18O5 | 338.11542 | -0.351 | 2-Isoprenylemodin | KEGG: C10360 KNApSAcK: C00002832 LipidMAPS: LMPK13040010 |
C20H18O5 | 338.11542 | -0.351 | Neoraufurane | FlavonoidViewer: FLII1LNP0001 KNApSAcK: C00009808 LipidMAPS: LMPK12160047 |
C20H18O5 | 338.11542 | -0.351 | Moracin H | KNApSAcK: C00036153 |
C20H18O5 | 338.11542 | -0.351 | Madagascin | KNApSAcK: C00034872 |
C20H18O5 | 338.11542 | -0.351 | Eurycarpin A | KNApSAcK: C00019762 |
C20H18O5 | 338.11542 | -0.351 | Buceracidin B | KNApSAcK: C00044597 |
C20H18O5 | 338.11542 | -0.351 | 3'-Demethoxycyclocurcumin | KNApSAcK: C00054761 |
C20H18O5 | 338.11542 | -0.351 | Isodispar B | KNApSAcK: C00050905 |
C20H18O5 | 338.11542 | -0.351 | Glabroisoflavanone A | KNApSAcK: C00031815 |
C20H18O5 | 338.11542 | -0.351 | Daleformis | KNApSAcK: C00050050 |
C20H18O5 | 338.11542 | -0.351 | 6alpha-Hydroxyphaseollin | HMDB: HMDB0030771 |
C20H18O5 | 338.11542 | -0.351 | 5,7,4'-Trihydroxy-8-(1,1-dimethylprop-2-enyl)isoflavone | KNApSAcK: C00019033 |
C20H18O5 | 338.11542 | -0.351 | (-)-Cagayanone A | KNApSAcK: C00034751, C00034752 |
C20H18O5 | 338.11542 | -0.351 | Moracin H | HMDB: HMDB0033315 |
C20H18O5 | 338.11542 | -0.351 | Decaspirone F | KNApSAcK: C00041489 |
C20H18O5 | 338.11542 | -0.351 | Artonin ZB | KNApSAcK: C00055149 |
C20H18O5 | 338.11542 | -0.351 | 3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']chalcone | FlavonoidViewer: FL1C1ANP0007 KNApSAcK: C00007093 LipidMAPS: LMPK12120082 |
C20H18O5 | 338.11542 | -0.351 | Citflavanone | FlavonoidViewer: FL2FAANP0003 KNApSAcK: C00008450 LipidMAPS: LMPK12140308 |
C20H18O5 | 338.11542 | -0.351 | Apiocarpin | FlavonoidViewer: FLIDAANF0001 KNApSAcK: C00009645 LipidMAPS: LMPK12070092 |
C20H18O5 | 338.11542 | -0.351 | 3,5,7-Trihydroxy-8-(1,1-dimethylprop-2-en-1-yl)flavone | FlavonoidViewer: FL5FA9NI0003 KEGG: C11581 KNApSAcK: C00004990 LipidMAPS: LMPK12111641 |
C20H18O5 | 338.11542 | -0.351 | Paratocarpin K | FlavonoidViewer: FL2FAANP0009 KNApSAcK: C00014230 LipidMAPS: LMPK12140314 |
C20H18O5 | 338.11542 | -0.351 | CE 33C | KNApSAcK: C00017188 |
C20H18O5 | 338.11542 | -0.351 | Glyinflanin B | FlavonoidViewer: FL1CHYNP0003 KNApSAcK: C00007006 LipidMAPS: LMPK12120387 |
C20H18O5 | 338.11542 | -0.351 | Otobanone | HMDB: HMDB0030618 |
C20H18O5 | 338.11542 | -0.351 | Sterekunthal A | KNApSAcK: C00037842 |
C20H18O5 | 338.11542 | -0.351 | Anthrasesamone D | KNApSAcK: C00054477 |
C20H18O5 | 338.11542 | -0.351 | Licoagroaurone | HMDB: HMDB0035373 KNApSAcK: C00014650 |
C20H18O5 | 338.11542 | -0.351 | Vismiaguianin A | KNApSAcK: C00037995 |
C20H18O5 | 338.11542 | -0.351 | 5,7-Dihydroxy-8-C-(gamma-methyl-gamma-formylallyl)flavanone | FlavonoidViewer: FL2FA9NI0006 KNApSAcK: C00008175 LipidMAPS: LMPK12140169 |
C20H18O5 | 338.11542 | -0.351 | Tuberosin | FlavonoidViewer: FLIDHXNP0003 HMDB: HMDB0302987 KNApSAcK: C00009684, C00020671 LipidMAPS: LMPK12070125 |
C20H18O5 | 338.11542 | -0.351 | Demethoxycurcumin | KEGG: C17742 |
C20H18O5 | 338.11542 | -0.351 | (-)-Glyceollin II | FlavonoidViewer: FLIDHXNP0002 HMDB: HMDB0034087 KEGG: C10422 KNApSAcK: C00002531 LipidMAPS: LMPK12070124 |
C20H18O5 | 338.11542 | -0.351 | Glyceollin III | FlavonoidViewer: FLIDHXNF0003, FLIDHXNF0004 HMDB: HMDB0034041 KEGG: C15511 KNApSAcK: C00009685, C00009686 LipidMAPS: LMPK12070109, LMPK12070110 |
C20H18O5 | 338.11542 | -0.351 | Mallotus A | FlavonoidViewer: FL1CE9NP0001 KNApSAcK: C00007108 LipidMAPS: LMPK12120335 |
C20H18O5 | 338.11542 | -0.351 | Psoralenol | FlavonoidViewer: FLIA1ANP0004 KNApSAcK: C00009437 LipidMAPS: LMPK12050036 |
C20H18O5 | 338.11542 | -0.351 | Yinyanghuo D | FlavonoidViewer: FL3FAANI0007 KNApSAcK: C00013407 LipidMAPS: LMPK12110415 |
C20H18O5 | 338.11542 | -0.351 | Pinnatal | KNApSAcK: C00037648 |
C20H18O5 | 338.11542 | -0.351 | Licoflavone C | FlavonoidViewer: FL3FAANP0003 KNApSAcK: C00004090 LipidMAPS: LMPK12110422 |
C20H18O5 | 338.11542 | -0.351 | Methyl tanshinonate | HMDB: HMDB0036636 KNApSAcK: C00051581 |
C20H18O5 | 338.11542 | -0.351 | 5,7,4'-Trihydroxy-6-prenylflavone | FlavonoidViewer: FL3FAANI0004 KNApSAcK: C00004089 LipidMAPS: LMPK12110412 |
C20H18O5 | 338.11542 | -0.351 | Crotalarin | FlavonoidViewer: FLIAAANP0008 KNApSAcK: C00009908 LipidMAPS: LMPK12050208 |
C20H18O5 | 338.11542 | -0.351 | Wighteone | FlavonoidViewer: FLIAAANI0001 KEGG: C10542 KNApSAcK: C00002586 LipidMAPS: LMPK12050188 |
C20H18O5 | 338.11542 | -0.351 | Anthrasesamone F | KNApSAcK: C00054479 |
C20H18O5 | 338.11542 | -0.351 | 5-Deoxyglyasperin F | KNApSAcK: C00018901 |
C20H18O5 | 338.11542 | -0.351 | Lupiwighteone | FlavonoidViewer: FLIAAANI0009 HMDB: HMDB0038902 KNApSAcK: C00009896 LipidMAPS: LMPK12050196 |
C20H18O5 | 338.11542 | -0.351 | Vitrofolal A | KNApSAcK: C00046506 |
C20H18O5 | 338.11542 | -0.351 | Lespecyrtin F1 | KNApSAcK: C00047280 |
C20H18O5 | 338.11542 | -0.351 | NSC 299114 | KNApSAcK: C00018046 |
C20H18O5 | 338.11542 | -0.351 | 5-Deoxylicoisoflavanone | KNApSAcK: C00018902 |
C20H18O5 | 338.11542 | -0.351 | Erythrivarone A | KNApSAcK: C00019377 |
C20H18O5 | 338.11542 | -0.351 | (2S)-5-Hydroxy-7-methoxy-8-[(E)-3-oxo-1-butenyl]flavanone | KNApSAcK: C00019218 |
C20H18O5 | 338.11542 | -0.351 | Broussoaurone A | KNApSAcK: C00014649 |
C20H18O5 | 338.11542 | -0.351 | LipidMAPS: LMPK12120615 |
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C20H18O5 | 338.11542 | -0.351 | Decaspirone C | KNApSAcK: C00041486 |
C20H18O5 | 338.11542 | -0.351 | Teuvincenone F | KNApSAcK: C00040477 |
C15H19O3N4Cl | 338.11457 | 2.178 | Dimefuron | KEGG: C18783 |
MSnスペクトル情報
Level: 2, プリカーサーm/z: 339.12231 |
Splash: splash10-00di-0009000000-3c026e4fead9c2cbbbf2 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
321.12 | 19061 | 18 | 1000 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.100 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | Citflavanone |
0.100 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | Paratocarpin K |
0.100 | [2'-Hydroxychalcone]-A(3OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Mallotus A |
0.077 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | 2'-Hydroxychalcone | 3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']chalcone |
0.071 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | 4-Hydroxyderricin |
0.071 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Bavachalcone |
0.071 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Isoxanthohumol(Helichrysum) |
0.071 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-6'-methoxy-3'-prenylchalcone |
0.067 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | 5-Methoxy-7-hydroxy-8-C-prenylflavanone |
0.067 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | Tephrinone |
0.067 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | 5-Hydroxy-7-methoxy-6-C-prenylflavanone |
0.067 | [Flavanone]-A(1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | 4'-Hydroxyisoderricin |
0.067 | [Flavanone]-A(1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachinin |
0.063 | [Flavone]-A(2OH)-B(1OH, 1(C-Prenyl)) | Flavone | Yinyanghuo D |
0.063 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavone | 5,7,4'-Trihydroxy-6-prenylflavone |
0.063 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavone | Licoflavone C |
0.063 | [Chalcone]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Chalcone | Licochalcone C |
0.059 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Isoflavone | Wighteone |
0.059 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Isoflavone | Lupiwighteone |
0.059 | [Isoflavone]-A(2OH)-B(1OH, 1(C-Prenyl)) | Isoflavone | Isowighteone |
0.045 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(none) | Flavonol | 3,5,7-Trihydroxy-8-prenylflavone |
0.045 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(none) | Flavonol | 3,5,7-Trihydroxy-6-prenylflavone |
0.000 | [Pterocarpan]-A(1OH)-B(1OMe, 1(C-Prenyl)) | Pterocarpan | Sandwicensin |
0.000 | [Auronol (2-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Auronol | Castillene D |
0.000 | [Chalcone]-A(1OH)-B(1OH, 1OMe, 1(1,1-Dimethylallyl)) | Chalcone | Licochalcone A |
0.000 | [Chalcone]-A(1OH, 1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Chalcone | 5'-Hydroxy-2'-methoxy-3,4-methylenedioxyfurano[2'',3'':4',3']chalcone |
0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1Oxo, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Ovalitenone |
0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | Glyinflanin B |
0.000 | [Dihydrochalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Dihydrochalcone | Crotaramin |
0.000 | [Flavanone]-A(1OMe, 1(2-Hydroxy-1,1-dimethylallyl))-B(none) | Flavanone | Falciformin |
0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(none) | Flavanone | 6-C-Prenyl-8-C-methylpinocembrin |
0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(none) | Flavanone | 5,7-Dihydroxy-6-methyl-8-prenylflavanone |
0.000 | [Flavanone]-A(2OH, 1(4-Oxoprenyl))-B(none) | Flavanone | 5,7-Dihydroxy-8-C-(4-oxoprenyl)flavanone |
0.000 | [Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(none) | Flavonol | 8-(1,1-Dimethylallyl)galangin |
0.000 | [Flavan 4-ol]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | Flavan 4-ol | Hildgardtol A |
0.000 | [Flavan 4-ol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavan 4-ol | Hildgardtol B |
0.000 | [Flavan]-A(2OMe, 1(C-Prenyl))-B(none) | Flavan | 5,7-Dimethoxy-8-prenylflavan |
0.000 | [CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin]-A(1OH)-B(1OH) | CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin | 5-Carboxypyranopelargonidin |
0.000 | [Isoflavone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Isoflavone | Psoralenol |
0.000 | [Isoflavone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH) | Isoflavone | 6-(1,1-Dimethylallyl)genistein |
0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Isoflavone | Crotalarin |
0.000 | [Isoflavanone]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavanone | Neotenone |
0.000 | [Isoflavan]-A(1OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | 2'-O-Methylphaseollinisoflavan |
0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Isoflavan | 4'-O-Methylglabridin |
0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Ficinin |
0.000 | [Pterocarpan]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Pterocarpan | Apiocarpin |
0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Pterocarpan-6a-ol | Glyceollin III |
0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Pterocarpan-6a-ol | Glyceollin I |
0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Pterocarpan-6a-ol | Glyceollin II |
0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan-6a-ol | Tuberosin |
0.000 | [2-Phenylbenzofuran]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | 2-Phenylbenzofuran | Neoraufurane |
Level: 3, プリカーサーm/z: 321.11679 |
Splash: splash10-0fb9-0095000000-5df5cf194cb7871daa05 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
279.08 | 5956 | 42 | 1000 |
303.14 | 4531 | 18 | 760 |
306.25 | 1669 | 15 | 280 |
253.08 | 1285 | 68 | 215 |
285.06 | 1057 | 36 | 177 |
293.20 | 892 | 28 | 149 |
267.19 | 815 | 54 | 136 |
263.16 | 702 | 58 | 117 |
292.14 | 608 | 29 | 102 |
304.55 | 317 | 17 | 53 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.294 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavone | 5-Hydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavone |
0.150 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Erythrinin A |
0.150 | [Isoflavone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Corylin |
0.133 | [Dihydroflavonol]-A(2OH)-B(3OH) | Dihydroflavonol | 3,5,7,3',4',5'-Hexahydroxyflavanone |
0.071 | [Flavan 3-ol]-A(2OH, 1OMe)-B(2OH) | Flavan 3-ol | 3,5,7,3',4'-Pentahydroxy-6-methoxyflavan |
0.071 | [Flavan 3-ol]-A(2OH)-B(2OH, 1OMe) | Flavan 3-ol | Gallocatechin 4'-methyl ether |
0.000 | [Auronol]-A(2OH)-B(3OH) | Auronol | Amaronol A |
0.000 | [alpha-Hydroxychalcone]-A(4OH)-B(2OH) | alpha-Hydroxychalcone | 3,4,2',3',4',6',alpha-Heptahydroxychalcone |
0.000 | [Dihydrochalcone beta-ol]-A(2OH)-B(2OH, 1OMe) | Dihydrochalcone beta-ol | Gliricidol |
0.000 | [3-substituted Flavanone (3-Methyl)]-A(2OH, 1Cl)-B(1OH) | 3-substituted Flavanone | 8-Chloro-5,7,4'-trihydroxy-3-C-methylflavanone |
0.000 | [Flavan 3,4-diol]-A(1OH, 1OMe)-B(2OH) | Flavan 3,4-diol | Mesquitol-4alpha-ol 8-methyl ether |
0.000 | [Flavan 3,4-diol]-A(2OH)-B(1OH, 1OMe) | Flavan 3,4-diol | Catechin-4-ol 3'-methyl ether |
0.000 | [Flav-3-ene]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | Flav-3-ene | Hildgardtene |
0.000 | [Pterocarpene]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpene | Anhydrotuberosin |
0.000 | [Coumestan]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Coumestan | Erosnin |
関連ピーク情報
ピーク番号 | 保持時間 (min) | m/z | m/z差分 | ログ強度 | アダクト | DB検索結果 | ヒット数 | MSn | FS2 | FS3 | N原子数 | S原子数 | 共有数 |
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