Chem
J-GLOBAL ID:200907099423678212
Nikkaji number:J2.744.539J
Quercetin 3,4′,7-trissulfate
クエルセチン3,4′,7-トリススルファート
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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 H10 O16 S3
Molecular formula furigana:
C15-H10-O16-S3
Molecular weight:
542.410
InChI:
InChI=1S/C15H10O16S3/c16-8-3-6(1-2-10(8)30-33(22,23)24)14-15(31-34(25,26)27)13(18)12-9(17)4-7(5-11(12)28-14)29-32(19,20)21/h1-5,16-17H,(H,19,20,21)(H,22,23,24)(H,25,26,27)
InChI key:
OHGDJKUWKHBWFH-UHFFFAOYSA-N
SMILES:
Oc1cc(ccc1OS(=O)(=O)O)c1oc2cc(OS(=O)(=O)O)cc(O)c2c(=O)c1OS(=O)(=O)O
Systematic name (3):
3,3′,4′,5,7-ペンタヒドロキシフラボン3,4′,7-トリススルファート
{2-ヒドロキシ-4-[5-ヒドロキシ-4-オキソ-3,7-ビス(スルホオキシ)-4H-クロメン-2-イル]フェニル}オキシダンスルホン酸
{2-hydroxy-4-[5-hydroxy-4-oxo-3,7-bis(sulfooxy)-4H-chromen-2-yl]phenyl}oxidanesulfonic acid
Other name (3):
3,3′,4′,5,7-Pentahydroxyflavone 3,4′,7-trissulfate
Quercetin 3,4′,7-trissulfate
クエルセチン3,4′,7-トリススルファート
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