CHEBI:69984 - 5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methylbutanoyl)-4-pentyl-2H-chromen-2-one

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ChEBI Name 5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methylbutanoyl)-4-pentyl-2H-chromen-2-one
ChEBI ID CHEBI:69984
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 C24H32O5
Net Charge 0
Average Mass 400.50790
Monoisotopic Mass 400.22497
InChI InChI=1S/C24H32O5/c1-6-7-8-9-16-13-19(26)29-24-20(16)22(27)17(11-10-14(2)3)23(28)21(24)18(25)12-15(4)5/h10,13,15,27-28H,6-9,11-12H2,1-5H3
InChIKey WPWGYCSQNLHWAN-UHFFFAOYSA-N
SMILES CCCCCc1cc(=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.
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ChEBI Ontology
Outgoing 5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methylbutanoyl)-4-pentyl-2H-chromen-2-one (CHEBI:69984) has role metabolite (CHEBI:25212)
5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methylbutanoyl)-4-pentyl-2H-chromen-2-one (CHEBI:69984) is a hydroxycoumarin (CHEBI:37912)
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);