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CHEBI:68096 - Chisomicine B

ChEBI IDCHEBI:68096
ChEBI NameChisomicine B
Stars
DefinitionA natural product found in Chisocheton ceramicus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC32H40O9
Net Charge0
Average Mass568.663
Monoisotopic Mass568.26723
SMILES[H][C@@]12CC(=O)O[C@@H](c3ccoc3)[C@]1(C)CC[C@]1([H])[C@@]3(C)[C@@H](CC(=O)OC)[C@@]4(C)C[C@@]3(O)C([C@H]4OC(=O)/C(C)=C/C)[C@@]3([H])O[C@@]213
InChIInChI=1S/C32H40O9/c1-7-16(2)27(35)40-25-23-26-32(41-26)18(30(5)19(12-21(33)37-6)29(25,4)15-31(23,30)36)8-10-28(3)20(32)13-22(34)39-24(28)17-9-11-38-14-17/h7,9,11,14,18-20,23-26,36H,8,10,12-13,15H2,1-6H3/b16-7+/t18-,19+,20-,23?,24+,25-,26-,28-,29-,30+,31-,32-/m1/s1
InChIKeyNVUJWJSHWTUKSE-JBAFMARGSA-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 B (CHEBI:68096) has role metabolite (CHEBI:25212)
Chisomicine B (CHEBI:68096) is a limonoid (CHEBI:39434)
Synonym  Source
(2R,4S,5R,9R,10R,13R,14R,15S,16R,18R,19R)-9-(3-Furyl)-18-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16-trimethyl-7-oxo-3,8-dioxahexacyclo[14.2.1.0(2,4).0(4,13).0(5,10).0(14,18)]nonadec-19-yl (2E)-2-methy l-2-butenoateChEBI
Citations