CHEBI:196639 - Coreopsin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Coreopsin
ChEBI ID CHEBI:196639
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O10
Net Charge 0
Average Mass 434.397
Monoisotopic Mass 434.12130
InChI InChI=1S/C21H22O10/c22-9-17-18(27)19(28)20(29)21(31-17)30-11-3-4-12(15(25)8-11)13(23)5-1-10-2-6-14(24)16(26)7-10/h1-8,17-22,24-29H,9H2/b5-1+/t17-,18-,19+,20-,21-/m1/s1
InChIKey QMVODIKHHIRSGI-RWGOFXMDSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC(O)=C(C=C2)C(=O)/C=C/C3=CC(O)=C(O)C=C3)CO
ChEBI Ontology
Outgoing Coreopsin (CHEBI:196639) is a flavonoids (CHEBI:72544)
Coreopsin (CHEBI:196639) is a glycoside (CHEBI:24400)
IUPAC Name
(E)-3-(3,4-dihydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
Manual Xref Database
58837424 ChemSpider
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