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CHEBI:125201 - (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(7-hydroxy-4-oxo-1-benzopyran-3-yl)phenoxy]-2-oxanecarboxylic acid

ChEBI IDCHEBI:125201
ChEBI Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(7-hydroxy-4-oxo-1-benzopyran-3-yl)phenoxy]-2-oxanecarboxylic acid
Stars
Last Modified3 March 2023
DownloadsMolfile
FormulaC21H18O10
Net Charge0
Average Mass430.365
Monoisotopic Mass430.09000
SMILESO=C(O)[C@H]1O[C@@H](Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H18O10/c22-10-3-6-12-14(7-10)29-8-13(15(12)23)9-1-4-11(5-2-9)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1
InChIKeyATUYSKUVHUPXBV-ZFORQUDYSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(7-hydroxy-4-oxo-1-benzopyran-3-yl)phenoxy]-2-oxanecarboxylic acid (CHEBI:125201) is a glycoside (CHEBI:24400)
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(7-hydroxy-4-oxo-1-benzopyran-3-yl)phenoxy]-2-oxanecarboxylic acid (CHEBI:125201) is a isoflavonoid (CHEBI:50753)
Manual XrefsDatabases
LSM-36668LINCS
HMDB0041717HMDB