CHEBI:171988 - Heterophyllin

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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 Heterophyllin
ChEBI ID CHEBI:171988
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H32O7
Net Charge 0
Average Mass 504.579
Monoisotopic Mass 504.21480
InChI InChI=1S/C30H32O7/c1-15(2)7-9-17-25(34)24-26(35)18-11-12-30(5,6)37-28(18)19(10-8-16(3)4)29(24)36-27(17)20-13-22(32)23(33)14-21(20)31/h7-8,11-14,31-33,35H,9-10H2,1-6H3
InChIKey CBYLXVCMCVXUQQ-UHFFFAOYSA-N
SMILES O1C(C=CC=2C1=C(C=3OC(=C(C(=O)C3C2O)CC=C(C)C)C=4C(O)=CC(O)=C(O)C4)CC=C(C)C)(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Heterophyllin (CHEBI:171988) is a flavones (CHEBI:24043)
IUPAC Name
5-hydroxy-2,2-dimethyl-7,10-bis(3-methylbut-2-enyl)-8-(2,4,5-trihydroxyphenyl)pyrano[3,2-g]chromen-6-one
Manual Xrefs Databases
23339594 ChemSpider
C09037 KEGG COMPOUND
HMDB0034660 HMDB
LMPK12110929 LIPID MAPS
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