CHEBI:69988 - Mammea B/BA

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ChEBI Name Mammea B/BA
ChEBI ID CHEBI:69988
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)27-22-18(14)20(25)15(9-8-12(2)3)21(26)19(22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3
InChIKey LYJWLIYDNZREPC-UHFFFAOYSA-N
SMILES CCCc1cc(=O)oc2c(C(=O)CC(C)C)c(O)c(CC=C(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 Mammea B/BA (CHEBI:69988) has role metabolite (CHEBI:25212)
Mammea B/BA (CHEBI:69988) is a hydroxycoumarin (CHEBI:37912)
Synonyms Sources
4-n-Propyl-5,7-dihydroxy-6-isopentenyl-8-isovalerylcoumarin ChEBI
Mammein ChEBI
Manual Xref Database
HMDB0030783 HMDB
View more database links
Registry Number Type Source
521-38-0 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);