CHEBI:192843 - Xanthochymuside

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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 Xanthochymuside
ChEBI ID CHEBI:192843
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H32O16
Net Charge 0
Average Mass 720.636
Monoisotopic Mass 720.16903
InChI InChI=1S/C36H32O16/c37-12-25-30(45)32(47)33(48)36(52-25)51-24-11-21(44)26-20(43)10-22(14-3-6-17(40)18(41)7-14)49-35(26)28(24)29-31(46)27-19(42)8-16(39)9-23(27)50-34(29)13-1-4-15(38)5-2-13/h1-9,11,22,25,29-30,32-34,36-42,44-45,47-48H,10,12H2
InChIKey XGQOXAVFFQEOBL-UHFFFAOYSA-N
SMILES O1C(OC2=C(C3C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC=C(O)C=C5)C=6OC(CC(=O)C6C(O)=C2)C7=CC(O)=C(O)C=C7)C(O)C(O)C(O)C1CO
Metabolite of Species Details
Cryptomeria (NCBI:txid3368) Found in needle (BTO:0000917). of strain Cryptomeria fortunei Hooibrenk See: MetaboLights Study
ChEBI Ontology
Outgoing Xanthochymuside (CHEBI:192843) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name
8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Manual Xref Database
HMDB0030609 HMDB
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