Chem
J-GLOBAL ID:200907038388214950
Nikkaji number:J1.431.492J
[2-(3,4-Dihydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl]6-O-(6-deoxy-α-L-mannopyranosyl)-D-glucopyranoside
[2-(3,4-ジヒドロキシフェニル)-4-オキソ-4H-1-ベンゾピラン-3-イル]6-O-(6-デオキシ-α-L-マンノピラノシル)-D-グルコピラノシド
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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 H30 O14
Molecular formula furigana:
C27-H30-O14
Molecular weight:
578.523
InChI:
InChI=1S/C27H30O14/c1-10-17(30)20(33)22(35)26(38-10)37-9-16-19(32)21(34)23(36)27(40-16)41-25-18(31)12-4-2-3-5-15(12)39-24(25)11-6-7-13(28)14(29)8-11/h2-8,10,16-17,19-23,26-30,32-36H,9H2,1H3/t10-,16+,17-,19+,20+,21-,22+,23+,26+,27?/m0/s1
InChI key:
FLEWKGBSUBVLLP-FKPAJWNFSA-N
SMILES:
C[C@@H]1O[C@@H](OC[C@H]2OC(Oc3c(oc4ccccc4c3=O)c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name (3):
[2-(3,4-ジヒドロキシフェニル)-4-オキソ-4H-1-ベンゾピラン-3-イル]6-O-(6-デオキシ-α-L-マンノピラノシル)-D-グルコピラノシド
2-(3,4-ジヒドロキシフェニル)-3-{[(3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2R,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}メチル)オキサン-2-イル]オキシ}-4H-クロメン-4-オン
2-(3,4-dihydroxyphenyl)-3-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
Other name (1):
[2-(3,4-Dihydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl]6-O-(6-deoxy-α-L-mannopyranosyl)-D-glucopyranoside
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