CHEBI:68096 - Chisomicine B

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ChEBI Name Chisomicine B
ChEBI ID CHEBI:68096
Definition A natural product found in Chisocheton ceramicus.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C32H40O9
Net Charge 0
Average Mass 568.65460
Monoisotopic Mass 568.26723
InChI InChI=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
InChIKey NVUJWJSHWTUKSE-JBAFMARGSA-N
SMILES [H][C@]12O[C@@]11[C@]([H])(CC[C@@]3(C)[C@@H](OC(=O)C[C@@]13[H])c1ccoc1)[C@@]1(C)[C@@H](CC(=O)OC)[C@@]3(C)C[C@@]1(O)C2[C@H]3OC(=O)C(\C)=C\C
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 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-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:terpene lactone(CHEBI:37668); 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:oxacycle(CHEBI:38104); ISA:delta-lactone(CHEBI:18946); ISA:oxanes(CHEBI:46942); ISA:pyrans(CHEBI:26407); ISA:furans(CHEBI:24129); ISA:enoate ester(CHEBI:51702); ISA:tertiary alcohol(CHEBI:26878); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:carboxylic ester(CHEBI:33308); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:epoxide(CHEBI:32955); ISA:organonitrogen compound(CHEBI:35352);