CHEBI:196636 - Palodulcin B

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ChEBI Name Palodulcin B
ChEBI ID CHEBI:196636
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H22O10
Net Charge 0
Average Mass 434.397
Monoisotopic Mass 434.12130
InChI InChI=1S/C21H22O10/c22-7-15-17(27)18(28)19(29)21(31-15)16-11(24)4-2-9-12(25)6-14(30-20(9)16)8-1-3-10(23)13(26)5-8/h1-5,14-15,17-19,21-24,26-29H,6-7H2/t14?,15-,17+,18+,19-,21+/m1/s1
InChIKey LCNHZAAYBQWOCS-HQWCMODGSA-N
SMILES O1[C@]([C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)(C=2C=3OC(CC(=O)C3C=CC2O)C4=CC(O)=C(O)C=C4)[H]
ChEBI Ontology
Outgoing Palodulcin B (CHEBI:196636) is a C-glycosyl compound (CHEBI:20857)
Palodulcin B (CHEBI:196636) is a flavonoids (CHEBI:72544)
IUPAC Name
2-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
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