CHEBI:176166 - Isosilychristin

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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 Isosilychristin
ChEBI ID CHEBI:176166
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H22O10
Net Charge 0
Average Mass 482.441
Monoisotopic Mass 482.12130
InChI InChI=1S/C25H22O10/c1-33-17-6-10(2-4-14(17)28)23-13(9-26)19-12(3-5-15(29)25(19)35-23)24-22(32)21(31)20-16(30)7-11(27)8-18(20)34-24/h2-8,13,22-24,26-30,32H,9H2,1H3
InChIKey QYCJAWYDGRZSTO-UHFFFAOYSA-N
SMILES O1C(C(C2=C(C3OC=4C(C(=O)C3O)=C(O)C=C(O)C4)C=CC(O)=C12)CO)C5=CC(OC)=C(O)C=C5
ChEBI Ontology
Outgoing Isosilychristin (CHEBI:176166) is a benzofurans (CHEBI:35259)
IUPAC Name
3,5,7-trihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzouran-4-yl]-2,3-dihydrochromen-4-one
Manual Xrefs Databases
35013588 ChemSpider
HMDB0033323 HMDB
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