CHEBI:185217 - Denticulaflavonol

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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 Denticulaflavonol
ChEBI ID CHEBI:185217
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H42O6
Net Charge 0
Average Mass 558.715
Monoisotopic Mass 558.29814
InChI InChI=1S/C35H42O6/c1-20(8-15-25-21(2)9-16-28-34(3,4)17-6-18-35(25,28)5)7-14-24-26(37)19-27-29(30(24)38)31(39)32(40)33(41-27)22-10-12-23(36)13-11-22/h7,10-13,19,25,28,36-38,40H,2,6,8-9,14-18H2,1,3-5H3/b20-7+
InChIKey VLQNALFJVBGYOK-IFRROFPPSA-N
SMILES OC1=C(C\C=C(\CCC2C3(C(C(CCC3)(C)C)CCC2=C)C)/C)C(O)=CC=4OC(=C(O)C(=O)C14)C5=CC=C(O)C=C5
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Denticulaflavonol (CHEBI:185217) is a flavones (CHEBI:24043)
IUPAC Name
6-[(E)-5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Manual Xrefs Databases
8206238 ChemSpider
LMPK12111996 LIPID MAPS
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