CHEBI:68097 - Chisomicine C

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ChEBI Name Chisomicine C
ChEBI ID CHEBI:68097
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 C32H40O10
Net Charge 0
Average Mass 584.65400
Monoisotopic Mass 584.26215
InChI InChI=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
InChIKey IOSWPDQIFIEXRD-BYQRRAKESA-N
SMILES [H][C@]12CC[C@@]3(C)[C@@H](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)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 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- 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:organic heterotricyclic compound(CHEBI:26979); ISA:organooxygen compound(CHEBI:36963); ISA:naphthalenes(CHEBI:25477); ISA:carbonyl compound(CHEBI:36586); ISA:fatty acid ester(CHEBI:35748); ISA:delta-lactone(CHEBI:18946); ISA:pyrans(CHEBI:26407); ISA:oxanes(CHEBI:46942); ISA:enoate ester(CHEBI:51702); ISA:tertiary alcohol(CHEBI:26878); ISA:furans(CHEBI:24129); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:carboxylic ester(CHEBI:33308); ISA:hemiacetal(CHEBI:5653); ISA:organic hydroxy compound(CHEBI:33822); ISA:organonitrogen compound(CHEBI:35352);