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CHEBI:68095 - Chisomicine A

Default Structure
ChEBI IDCHEBI:68095
ChEBI NameChisomicine A
Stars
DefinitionA natural product found in Chisocheton ceramicus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC32H38O8
Net Charge0
Average Mass550.648
Monoisotopic Mass550.25667
SMILES[H][C@]12CC[C@]3(C)C(=C1/C=C\[C@@H](OC(=O)/C(C)=C/C)[C@]1(C)CC(=O)[C@@]2(C)[C@H]1CC(=O)OC)CC(=O)O[C@H]3c1ccoc1
InChIInChI=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
InChIKeyXVHXALVCAPLJJX-TXTGMHMPSA-N
Species of MetaboliteComponentSourceComments
Chisocheton ceramicus (ncbitaxon:155624) bark (BTO:0001301) PubMed (21428417) Methanolic extract of dried and powdered bark
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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-butenoateChEBI
Citations