CHEBI:69994 - Mammea E/BB

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Mammea E/BB
ChEBI ID CHEBI:69994
Definition A natural product found in Mammea americana.
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:70454
Supplier Information
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Formulae C24H30O7
C24H30O7
Net Charge 0
Average Mass 430.49080
Monoisotopic Mass 430.19915
InChI InChI=1S/C24H30O7/c1-7-13(5)21(27)20-23(29)15(10-9-12(3)4)22(28)19-16(11-18(26)31-24(19)20)17(8-2)30-14(6)25/h9,11,13,17,28-29H,7-8,10H2,1-6H3/t13-,17-/m0/s1
InChIKey CIJFRPODNXMJFU-GUYCJALGSA-N
SMILES CC[C@H](C)C(=O)c1c(O)c(CC=C(C)C)c(O)c2c(cc(=O)oc12)[C@H](CC)OC(C)=O
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
Mammea americana (NCBI:txid198777) Found in stem (BTO:0001300). Previous component: stem bark; Dried plant material(stem bark) was extracted with CH2Cl2-MeOH(1:1) 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 E/BB (CHEBI:69994) has role metabolite (CHEBI:25212)
Mammea E/BB (CHEBI:69994) is a hydroxycoumarin (CHEBI:37912)
Synonym Source
1-[5,7-Dihydroxy-8-(2-methylbutanoyl)-6-(3-methyl-2-buten-1-yl)-2-oxo-2H-chromen-4-yl]propyl acetate ChEBI
Citations Waiting for Citations Types Sources
20929261 PubMed citation Europe PMC
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:carboxylic ester(CHEBI:33308); ISA:lactone(CHEBI:25000); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:aromatic alcohol(CHEBI:33854);