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CHEBI:68097 - Chisomicine C

ChEBI IDCHEBI:68097
ChEBI NameChisomicine C
Stars
DefinitionA natural product found in Chisocheton ceramicus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC32H40O10
Net Charge0
Average Mass584.662
Monoisotopic Mass584.26215
SMILES[H][C@]12CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@@]3(O)C1=CC1[C@@H](OC(=O)/C(C)=C/C)[C@]3(C)CO[C@]1(O)[C@]2(C)[C@H]3CC(=O)OC
InChIInChI=1S/C32H40O10/c1-7-17(2)27(35)42-26-21-12-20-19(30(5)22(13-23(33)38-6)28(26,3)16-40-32(21,30)37)8-10-29(4)25(18-9-11-39-15-18)41-24(34)14-31(20,29)36/h7,9,11-12,15,19,21-22,25-26,36-37H,8,10,13-14,16H2,1-6H3/b17-7+/t19-,21?,22-,25-,26+,28+,29-,30-,31+,32-/m0/s1
InChIKeyIOSWPDQIFIEXRD-BYQRRAKESA-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 C (CHEBI:68097) has role metabolite (CHEBI:25212)
Chisomicine C (CHEBI:68097) is a hydroxy steroid (CHEBI:35350)
Synonym  Source
(1R,2S,5S,6R,10R,14R,15S,18S,19S)-6-(3-Furyl)-10,18-dihydroxy-19-(2-methoxy-2-oxoethyl)-1,5,15-trimethyl-8-oxo-7,17-dioxapentacyclo[13.3.1.0(2,11).0(5,10).0(13,18)]nonadec-11-en-14-yl (2E)-2-methyl-2- butenoateChEBI
Citations