Chem
J-GLOBAL ID:200907095227221810
Nikkaji number:J6.012G
Daphnin
ダフニン
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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:
C15 H16 O9
Molecular formula furigana:
C15-H16-O9
Molecular weight:
340.284
InChI:
InChI=1S/C15H16O9/c16-5-8-10(18)12(20)13(21)15(23-8)22-7-3-1-6-2-4-9(17)24-14(6)11(7)19/h1-4,8,10,12-13,15-16,18-21H,5H2/t8-,10-,12+,13-,15-/m1/s1
InChI key:
HOIXTKAYCMNVMY-PVOAASPHSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccc3ccc(=O)oc3c2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name (6):
7-(β-D-グルコピラノシルオキシ)-8-ヒドロキシ-2H-1-ベンゾピラン-2-オン
7-β-D-グルコピラノシルオキシ-8-ヒドロキシ-2H-1-ベンゾピラン-2-オン
8-ヒドロキシ-2-オキソ-2H-1-ベンゾピラン-7-イルβ-D-グルコピラノシド
8-ヒドロキシ-7-(β-D-グルコピラノシルオキシ)-2H-1-ベンゾピラン-2-オン
8-ヒドロキシ-7-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-2H-クロメン-2-オン
8-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one
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Other name (7):
CAS registry number:
486-55-5
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