ピーク情報
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ミヤコグサ
pos
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| Peak #3366 MN MID: SE205_S07_M90 |
| m/z: 711.17740, RT: 43.14, 強度: 19513, ログ強度: 0.79, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3 |
| DB検索結果: (6 names) 8-Hydroxyluteolin 7-[6'''-acetylallosyl-(1->2)-6''-acetylglucoside];Delphinidin 3,5-di(6-acetylglucoside);Peonidin 3-(6'-malonylglucoside)-5-glucoside;Succinylcyanin;8-Hydroxyluteolin 7-[6'''-acetylal... |
| DBごとのヒット数: ALL 6 KN 6 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.533 |
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 |
|---|---|---|---|---|
| C31H34O19 | 710.16943 | 0.982 | 8-Hydroxyluteolin 7-[6'''-acetylallosyl-(1->2)-6''-acetylglucoside] | FlavonoidViewer: FL3FFCGS0009 KNApSAcK: C00004425 LipidMAPS: LMPK12111378 |
| C31H34O19 | 710.16943 | 0.982 | Delphinidin 3,5-di(6-acetylglucoside) | FlavonoidViewer: [1]FL7AAGGL0019 KNApSAcK: [1]C00006882 LipidMAPS: [1]LMPK12010295 |
| C31H34O19 | 710.16943 | 0.982 | Peonidin 3-(6'-malonylglucoside)-5-glucoside | FlavonoidViewer: [1]FL7AADGL0018 HMDB: [1]HMDB0301896 KNApSAcK: [1]C00006866 LipidMAPS: [1]LMPK12010249 |
| C31H34O19 | 710.16943 | 0.982 | Succinylcyanin | FlavonoidViewer: [1]FL7AACGL0046 KNApSAcK: [1]C00006817 LipidMAPS: [1]LMPK12010155 |
| C31H34O19 | 710.16943 | 0.982 | 8-Hydroxyluteolin 7-[6'''-acethylallosyl-(1->2)-3''-acetylglucoside] | FlavonoidViewer: FL3FFCGS0010 KNApSAcK: C00004426 LipidMAPS: LMPK12111379 |
| C31H34O19 | 710.16943 | 0.982 | Apigenin 6-C-glucosyl-7-O-(6-malyl-glucoside) | FlavonoidViewer: FL3FAADS0031 KNApSAcK: C00011196 LipidMAPS: LMPK12110316 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 711.17725 |
| Splash: splash10-02t9-0008910000-98850ba68718fb4e14c6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 463.04 | 8518 | 248 | 1000 |
| 317.07 | 7694 | 394 | 903 |
| 565.06 | 1653 | 146 | 194 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 463.01367 |
| Splash: splash10-014i-0009000000-c1f649e59d1e7958e394 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 317.05 | 9412 | 146 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(4OMe)-B(4OMe) | Flavone | Agehoustin A |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | Isoscoparin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | 6-C-beta-D-Glucopyranosyldiosmetin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH) | Flavone | Swertiajaponin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | Scoparin |
| 0.000 | [Flavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Flavone | 8-C-beta-D-Glucopyranosyldiosmetin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH) | Flavone | Parkinsonin A |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OH) | Flavone | Isoswertiajaponin |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(C-Glu))-B(1OH) | Flavonol | Keyakinin |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe) | Isoflavone | Dalpanitin |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(2OH, 3(C-Prenyl))-B(none) | UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone | Helilupolone |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(2OH) | Flavonol | 6-C-Rhamnopyranosylrhamnetin |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(3OMe) | Flavonol | Exoticin |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(3OMe) | Flavonol | Purpurascenin |
| 0.000 | [Flavan]-A(1OH, 1(1,1-Dimethylallyl))-B(2OH, 2(C-Prenyl)) | Flavan | Kazinol E |
| 0.000 | [Flavan]-A(1OH, 1(1,1-Dimethylallyl))-B(2OH, 2(C-Prenyl)) | Flavan | Kazinol Q |
| 0.000 | [CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin (3',4'-Dihydroxy)]-A(1OH)-B(1OH, 2OMe) | CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin | Malvidin 4-vinylcatechol |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Euchrenone b3 |
| Level: 3, プリカーサーm/z: 317.06488 |
| Splash: splash10-0udi-0159000000-09e5886b6354144013ed |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 302.04 | 1864 | 15 | 1000 |
| 285.00 | 660 | 32 | 353 |
| 261.09 | 166 | 56 | 88 |
| 138.96 | 144 | 178 | 77 |
| 299.09 | 129 | 18 | 69 |
| 257.07 | 117 | 60 | 62 |
| 271.12 | 117 | 46 | 62 |
| 150.94 | 105 | 166 | 56 |
| 164.99 | 100 | 152 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.533 | [Flavonol]-A(2OH)-B(1OH, 1OMe) | Flavonol | 3'-O-Methylmelanoxetin |
| 0.533 | [Flavonol]-A(2OH)-B(1OH, 1OMe) | Flavonol | Isorhamnetin |
| 0.533 | [Flavonol]-A(2OH)-B(1OH, 1OMe) | Flavonol | Tamarixetin |
| 0.533 | [Flavonol]-A(2OH)-B(1OH, 1OMe) | Flavonol | Milimorin |
| 0.385 | [Isoflavanone]-A(2OH)-B(2OMe) | Isoflavanone | Homoferreirin |
| 0.368 | [Isoflavone]-A(2OH)-B(2OH, 1OMe) | Isoflavone | Junipegenin A |
| 0.313 | [Anthocyanidin]-A(2OH)-B(2OH, 1OMe) | Anthocyanidin | Petunidin |
| 0.313 | [Anthocyanidin]-A(1OH, 1OMe)-B(3OH) | Anthocyanidin | Pulchellidin |
| 0.300 | [Isoflavone]-A(3OH, 1OMe)-B(1OH) | Isoflavone | 5,6,7,4'-Tetrahydroxy-8-methoxyisoflavone |
| 0.300 | [Isoflavone]-A(3OH)-B(1OH, 1OMe) | Isoflavone | 5,6,7,4'-Tetrahydroxy-3'-methoxyisoflavone |
| 0.278 | [Flavonol]-A(1OH, 1OMe)-B(2OH) | Flavonol | 7-Methoxy-3,6,3',4'-tetrahydroxyflavone |
| 0.278 | [Flavonol]-A(1OH, 1OMe)-B(2OH) | Flavonol | 3,7,3',4'-Tetrahydroxy-8-methoxyflavone |
| 0.278 | [Flavonol]-A(1OH, 1OMe)-B(2OH) | Flavonol | Azaleatin |
| 0.278 | [Flavonol]-A(1OH, 1OMe)-B(2OH) | Flavonol | Rhamnetin |
| 0.278 | [Flavonol]-A(2OH, 1OMe)-B(1OH) | Flavonol | Vogeletin |
| 0.278 | [Flavonol]-A(2OH, 1OMe)-B(1OH) | Flavonol | 6-Methoxykaempferol |
| 0.278 | [Flavonol]-A(2OH, 1OMe)-B(1OH) | Flavonol | 3,5,6,4'-Tetrahydroxy-7-methoxyflavone |
| 0.278 | [Flavonol]-A(2OH, 1OMe)-B(1OH) | Flavonol | 3,5,8,2'-Tetrahydroxy-7-methoxyflavone |
| 0.278 | [Flavonol]-A(2OH, 1OMe)-B(1OH) | Flavonol | Pollenitin |
| 0.278 | [Flavonol]-A(2OH, 1OMe)-B(1OH) | Flavonol | Sexangularetin |
| 0.278 | [Flavonol]-A(3OH)-B(1OMe) | Flavonol | 3,5,6,7-Tetrahydroxy-4'-methoxyflavone |
| 0.278 | [Flavonol]-A(3OH)-B(1OMe) | Flavonol | Herbacetin 4'-methyl ether |
| 0.200 | [Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Isoflavanone | Cajanol |
| 0.200 | [Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Isoflavanone | 7,4'-Dihydroxy-5,2'-dimethoxyisoflavanone |
| 0.176 | [Flavanone]-A(2OH)-B(2OMe) | Flavanone | Eriodictyol 3',4'-dimethyl ether |
| 0.176 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavanone | 7,4'-Dihydroxy-8,3'-dimethoxyflavanone |
| 0.176 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-7,5'-dimethoxyflavanone |
| 0.176 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavanone | 5,3'-Dihydroxy-7,2'-dimethoxyflavanone |
| 0.176 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavanone | Eriodictyol 5,4'-dimethyl ether |
| 0.176 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavanone | Eriodictyol 7,3'-dimethyl ether |
| 0.176 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavanone | Persicogenin |
| 0.176 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-7,4'-dimethoxyflavanone |
| 0.143 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OMe) | Dihydroflavonol | Aromadendrin 7,4'-dimethyl ether |
| 0.143 | [Dihydroflavonol]-A(2OMe)-B(1OH) | Dihydroflavonol | Aromadendrin 5,7-dimethyl ether |
| 0.125 | [Isoflavanone]-A(1OH)-B(1OH, 2OMe) | Isoflavanone | 7,4'-Dihydroxy-3',5'-dimethoxyisoflavanone |
| 0.125 | [Isoflavanone]-A(1OH)-B(1OH, 2OMe) | Isoflavanone | Violanone |
| 0.125 | [Isoflavanone]-A(1OH)-B(1OH, 2OMe) | Isoflavanone | Lespedeol C |
| 0.125 | [2'-Hydroxychalcone]-A(3OH, 2OMe)-B(none) | 2'-Hydroxychalcone | 3',4',6'-Trihydroxy-2',5'-dimethoxychalcone |
| 0.125 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 2',4',4-Trihydroxy-3',3-methoxychalcone |
| 0.125 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 3,4',6'-Trihydroxy-4,2'-dimethoxychalcone |
| 0.125 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 4,2',6'-Trihydroxy-3,4'-dimethoxychalcone |
| 0.125 | [2'-Hydroxychalcone]-A(3OH)-B(2OMe) | 2'-Hydroxychalcone | Okanin 3,4-dimethyl ether |
| 0.111 | [Flavanone]-A(1OH, 2OMe)-B(1OH) | Flavanone | 5,4'-Dihydroxy-6,7-dimethoxyflavanone |
| 0.111 | [Flavanone]-A(1OH, 2OMe)-B(1OH) | Flavanone | Dihydroskullcap flavone I |
| 0.111 | [Flavanone]-A(1OH, 2OMe)-B(1OH) | Flavanone | 5,4'-Dihydroxy-7,8-dimethoxyflavanone |
| 0.111 | [Flavanone]-A(2OH, 2OMe)-B(none) | Flavanone | Didymocarpin A |
| 0.111 | [Flavanone]-A(2OH, 1OMe)-B(1OMe) | Flavanone | 7,8-Dihydroxy-6,4'-dimethoxyflavanone |
| 0.111 | [Flavanone]-A(2OH, 1OMe)-B(1OMe) | Flavanone | 5,7-Dihydroxy-8,2'-dimethoxyflavanone |
| 0.111 | [Flavanone]-A(2OH, 1OMe)-B(1OMe) | Flavanone | 5,7-Dihydroxy-8,4'-dimethoxyflavanone |
| 0.091 | [Flavone]-A(2OH)-B(2OH, 1OMe) | Flavone | Tricetin 3'-methyl ether |
| 0.091 | [Flavone]-A(2OH)-B(2OH, 1OMe) | Flavone | Tricetin 4'-methyl ether |
| 0.091 | [Flavone]-A(1OH, 1OMe)-B(3OH) | Flavone | Tricetin 7-methyl ether |
| 0.091 | [Flavone]-A(3OH)-B(1OH, 1OMe) | Flavone | Nodifloretin |
| 0.091 | [Flavone]-A(3OH)-B(1OH, 1OMe) | Flavone | 6-Hydroxyluteolin 4'-methyl ether |
| 0.091 | [Flavone]-A(2OH, 1OMe)-B(2OH) | Flavone | Carajuflavone |
| 0.091 | [Flavone]-A(2OH, 1OMe)-B(2OH) | Flavone | Nepetin |
| 0.091 | [Flavone]-A(2OH, 1OMe)-B(2OH) | Flavone | Pedalitin |
| 0.091 | [Flavone]-A(3OH)-B(1OH, 1OMe) | Flavone | Hypolaetin 3'-methyl ether |
| 0.091 | [Flavone]-A(3OH)-B(1OH, 1OMe) | Flavone | Hypolaetin 4'-methyl ether |
| 0.091 | [Flavone]-A(2OH, 1OMe)-B(2OH) | Flavone | Onopordin |
| 0.000 | [Dihydroflavonol (3-OMe)]-A(1OMe)-B(2OH) | Dihydroflavonol | Fustin 3,7-dimethyl ether |
| 0.000 | [Dihydrochalcone]-A(1OH, 2OMe)-B(1OMe) | Dihydrochalcone | Flavokawin A |
| 0.000 | [Dihydrochalcone]-A(none)-B(1OH, 3OMe) | Dihydrochalcone | 2-Hydroxy-3,4,6-trimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(none)-B(1OH, 3OMe) | Dihydrochalcone | 2-Hydroxy-4,5,6-trimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(3OMe)-B(1OH) | Dihydrochalcone | 4-Hydroxy-2',4',6'-trimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(3OMe) | Dihydrochalcone | Loureirin B |
| 0.000 | [Dihydrochalcone]-A(1OH, 3OMe)-B(none) | Dihydrochalcone | 2'-Hydroxy-3',4',6'-trimethoxydihydrochalcone |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 2OMe) | Pterocarpan | Philenopteran |
| 0.000 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Pterocarpan | 2,8-Dihydroxy-3,9-dimethoxypterocarpan |
| 0.000 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Pterocarpan | Mucronucarpan |
| 0.000 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Pterocarpan | Nissolicarpin |
| 0.000 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Pterocarpan | Melilotocarpan D |
| 0.000 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe) | Pterocarpan | Melilotocarpan E |
| 0.000 | [Aurone]-A(1OH, 1OMe)-B(3OH) | Aurone | Bracteatin 4-Methyl ether |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 2Methyl)-B(1OH) | Dihydrochalcone | 4,2',6'-Trihydroxy-4'-methoxy-3',5'-dimethyldihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Dihydrochalcone | 2',4'-Dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OMe)-B(1OMe) | Dihydrochalcone alpha-ol | O-Methylodoratol |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1Methyl)-B(2OH) | Flavanone | 7,3',4'-Trihydroxy-5-methoxy-6-C-methylflavanone |
| 0.000 | [Flavanone]-A(2OH, 2Methyl)-B(2OH) | Flavanone | Cyrtominetin |
| 0.000 | [Flavanone]-A(1OH, 1([@@]-Methylenedioxy))-B(2OH) | Flavanone | 5,2',3'-Trihydroxy-6,7-methylenedioxyflavanone |
| 0.000 | [2-Hydroxyflavanone]-A(1OH, 2OMe, 1Methyl)-B(none) | 2-Hydroxyflavanone | Mosloflavanone |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(1OMe) | Dihydroflavonol | 3,5,7-Trihydroxy-4'-methoxy-6-methylflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1Methyl)-B(1OH) | Dihydroflavonol | 3,7,4'-Trihydroxy-5-methoxy-6-methylflavanone |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(2OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone | Crombeone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH) | Flavonol | 3-Methoxy-6,7,3',4'-tetrahydroxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH) | Flavonol | Transilitin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH) | Flavonol | Quercetin 3-methyl ether |
| 0.000 | [Flavonol]-A(2OH, 1Methyl)-B(2OH) | Flavonol | Pinoquercetin |
| 0.000 | [Flavonol]-A(2OH, 1Methyl)-B(2OH) | Flavonol | 8-C-Methylquercetin |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH) | Flavonol | 5,6,7,4'-Tetrahydroxy-3-methoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH) | Flavonol | 3-Methylherbacetin |
| 0.000 | [Flavan 4-ol]-A(2OMe)-B(1OMe) | Flavan 4-ol | 4-Hydroxy-5,7,4'-trimethoxyflavan |
| 0.000 | [Flavan 4-ol]-A(2OH, 2Methyl)-B(1OMe) | Flavan 4-ol | 4,5,7-Trihydroxy-4'-methoxy-6,8-dimethylflavan |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol]-A(1OMe)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol | 7-O-Methylpeltogynol |
| 0.000 | [Flavan]-A(1OH, 1OMe)-B(2OMe) | Flavan | 2-(3,5-Dimethoxyphenyl)-3,4-dihydro-7-methoxy-2H-1-benzopyran-5-ol |
| 0.000 | [Flavan]-A(1OH, 1OMe)-B(2OMe) | Flavan | 5-Hydroxy-7,3',4'-trimethoxyflavan |
| 0.000 | [Flavan]-A(2OMe)-B(1OH, 1OMe) | Flavan | 4'-Hydroxy-5,7,3'-trimethoxyflavan |
| 0.000 | [Isoflavanone]-A(1OH, 1OMe, 1Methyl)-B(2OH) | Isoflavanone | Ougenin |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH)-B(2OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Pendulone |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH, 1OMe)-B(1OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Mucroquinone |
| 0.000 | [isoflavan-4-ol]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(none) | isoflavan-4-ol | Lapathinol |
| 0.000 | [isoflavene]-A(2OH)-B(1OH, 2OMe) | isoflavene | 6,7,3'-Trihydroxy-2',4'-dimethoxyisoflavene |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | 6a,7-Dihydroxymaackiain |
| 0.000 | [12a-Hydroxyrotenone]-A(2OH)-B(1OH) | 12a-Hydroxyrotenone | 4,9,11,12a-Tetrahydroxyrotenoid |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(3OH) | 4-phenylcoumarin | 5,2',4',5'-Tetrahydroxy-7-methoxy-4-phenylcoumarin |
| 0.000 | [Dalbergiquinol]-A(1OH, 3OMe)-B(1OH) | Dalbergiquinol | Kuhlmanniquinol |