CHEBI:69986 - 5,7-dihydroxy-8-(3-methylbut-2-enyl)-6-(3-methylbutanoyl)-4-propyl-2H-chromen-2-one

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ChEBI Name 5,7-dihydroxy-8-(3-methylbut-2-enyl)-6-(3-methylbutanoyl)-4-propyl-2H-chromen-2-one
ChEBI ID CHEBI:69986
Definition A natural product found in Mammea americana.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H28O5
Net Charge 0
Average Mass 372.45470
Monoisotopic Mass 372.19367
InChI InChI=1S/C22H28O5/c1-6-7-14-11-17(24)27-22-15(9-8-12(2)3)20(25)19(21(26)18(14)22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3
InChIKey VXFHCMCZMKQIMR-UHFFFAOYSA-N
SMILES CCCc1cc(=O)oc2c(CC=C(C)C)c(O)c(C(=O)CC(C)C)c(O)c12
Metabolite of Species Details
Mammea americana (NCBI:txid198777) Found in stem (BTO:0001300). Previous component: stem bark; Dichloromethane/Methanol (1:1) extract of dried stem bark See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5,7-dihydroxy-8-(3-methylbut-2-enyl)-6-(3-methylbutanoyl)-4-propyl-2H-chromen-2-one (CHEBI:69986) has role metabolite (CHEBI:25212)
5,7-dihydroxy-8-(3-methylbut-2-enyl)-6-(3-methylbutanoyl)-4-propyl-2H-chromen-2-one (CHEBI:69986) is a hydroxycoumarin (CHEBI:37912)
Synonyms Sources
5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(3-methyl-1-oxobutyl)-4-propyl-2H-benzopyran-2-one ChEBI
Isomammein ChEBI
Mammea B/AA ChEBI
Manual Xref Database
HMDB0030781 HMDB
View more database links
Registry Number Type Source
478-67-1 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21214226 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:butanone(CHEBI:22951); ISA:1-benzopyran(CHEBI:38443); ISA:acetophenones(CHEBI:22187); ISA:resorcinols(CHEBI:33572); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic ketone(CHEBI:76224); ISA:pyranone(CHEBI:37963); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:polyol(CHEBI:26191); ISA:lactone(CHEBI:25000); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854);