CHEBI:68095 - Chisomicine A

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ChEBI Name Chisomicine A
ChEBI ID CHEBI:68095
Definition A natural product found in Chisocheton ceramicus.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H38O8
Net Charge 0
Average Mass 550.63930
Monoisotopic Mass 550.25667
InChI InChI=1S/C32H38O8/c1-7-18(2)29(36)39-25-9-8-20-21(32(5)23(15-26(34)37-6)31(25,4)16-24(32)33)10-12-30(3)22(20)14-27(35)40-28(30)19-11-13-38-17-19/h7-9,11,13,17,21,23,25,28H,10,12,14-16H2,1-6H3/b9-8-,18-7+/t21-,23-,25+,28-,30+,31+,32+/m0/s1
InChIKey XVHXALVCAPLJJX-TXTGMHMPSA-N
SMILES [H][C@]12CC[C@@]3(C)[C@@H](OC(=O)CC3=C1/C=C\[C@@H](OC(=O)C(\C)=C\C)[C@]1(C)CC(=O)[C@@]2(C)[C@H]1CC(=O)OC)c1ccoc1
Metabolite of Species Details
Chisocheton ceramicus (NCBI:txid155624) Found in bark (BTO:0001301). Methanolic extract of dried and powdered 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 Chisomicine A (CHEBI:68095) has role metabolite (CHEBI:25212)
Chisomicine A (CHEBI:68095) is a carbonyl compound (CHEBI:36586)
Synonym Source
(1R,2S,5R,6R,12Z,14R,15R,18S)-6-(3-Furyl)-18-(2-methoxy-2-oxoethyl)-1,5,15-trimethyl-8,17-dioxo-7-oxatetracyclo[13.2.1.0(5,10)]octadeca-10,12-dien-14-yl (2E)-2-methyl-2-butenoate ChEBI
Citation Waiting for Citations Type Source
21428417 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:fatty acid ester(CHEBI:35748); ISA:delta-lactone(CHEBI:18946); ISA:oxanes(CHEBI:46942); ISA:carboxylic ester(CHEBI:33308); ISA:enoate ester(CHEBI:51702); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:furans(CHEBI:24129); ISA:ketone(CHEBI:17087); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352);