Chem
J-GLOBAL ID:200907060828851864
Nikkaji number:J1.327.071F
3-[6-O-[3-O-(Sodiooxysulfonyl)-6-deoxy-α-L-mannopyranosyl]-β-D-glucopyranosyloxy]-3′,4′,5,7-tetrahydroxyflavone
3-[6-O-[3-O-(ソジオオキシスルホニル)-6-デオキシ-α-L-マンノピラノシル]-β-D-グルコピラノシルオキシ]-3′,4′,5,7-テトラヒドロキシフラボン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C27 H29 NaO19 S
Molecular formula furigana:
C27-H29-NA-O19-S
Molecular weight:
712.560
InChI:
InChI=1S/C27H30O19S.Na/c1-8-17(32)24(46-47(38,39)40)22(37)26(42-8)41-7-15-18(33)20(35)21(36)27(44-15)45-25-19(34)16-13(31)5-10(28)6-14(16)43-23(25)9-2-3-11(29)12(30)4-9;/h2-6,8,15,17-18,20-22,24,26-33,35-37H,7H2,1H3,(H,38,39,40);/q;+1/p-1/t8-,15+,17-,18+,20-,21+,22+,24+,26+,27-;/m0./s1
InChI key:
ZXFIZPYKLFKQCG-YDYVYLNLSA-M
SMILES:
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](OS(=O)(=O)O[Na])[C@H]1O
Systematic name (3):
3-[6-O-[3-O-(ソジオオキシスルホニル)-6-デオキシ-α-L-マンノピラノシル]-β-D-グルコピラノシルオキシ]-3′,4′,5,7-テトラヒドロキシフラボン
(2R,3R,4R,5S,6S)-2-{[(2R,3S,4S,5R,6S)-6-{[2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-4-オキソ-4H-クロメン-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メトキシ}-3,5-ジヒドロキシ-6-メチルオキサン-4-イル ナトリウム スルファート
(2R,3R,4R,5S,6S)-2-{[(2R,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,5-dihydroxy-6-methyloxan-4-yl sodium sulfate
Other name (1):
3-[6-O-[3-O-(Sodiooxysulfonyl)-6-deoxy-α-L-mannopyranosyl]-β-D-glucopyranosyloxy]-3′,4′,5,7-tetrahydroxyflavone
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