CHEBI:69358 - skimmiarepin C

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ChEBI Name skimmiarepin C
ChEBI ID CHEBI:69358
Definition A natural product found in Aegle marmelos.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C35H54O6
Net Charge 0
Average Mass 570.79970
Monoisotopic Mass 570.39204
InChI InChI=1S/C35H54O6/c1-19(2)15-27(37)40-26-11-12-32(7)23-10-13-34-18-35(34,33(23,8)25(36)17-24(32)30(26,3)4)14-9-21(34)20-16-22(39-29(20)38)28-31(5,6)41-28/h15,20-26,28-29,36,38H,9-14,16-18H2,1-8H3/t20-,21-,22+,23+,24-,25+,26+,28-,29?,32+,33-,34+,35+/m0/s1
InChIKey ITVZPGUBVVWDLH-YPEKPQOMSA-N
SMILES [H][C@@]1(C[C@]([H])(C(O)O1)[C@]1([H])CC[C@]23C[C@]12CC[C@]1([H])[C@@]2(C)CC[C@@H](OC(=O)C=C(C)C)C(C)(C)[C@]2([H])C[C@@H](O)[C@@]31C)[C@]1([H])OC1(C)C
Metabolite of Species Details
Aegle marmelos (NCBI:txid68527) Found in bark (BTO:0001301). CH2Cl2-MeOH(1:1) extract of dried plant material(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 skimmiarepin C (CHEBI:69358) has role metabolite (CHEBI:25212)
skimmiarepin C (CHEBI:69358) is a limonoid (CHEBI:39434)
Citation Waiting for Citations Type Source
21875114 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:steroid ester(CHEBI:47880); ISA:fatty acid ester(CHEBI:35748); ISA:monosaccharide(CHEBI:35381); ISA:enoate ester(CHEBI:51702); ISA:oxolanes(CHEBI:26912); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:hemiacetal(CHEBI:5653); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:epoxide(CHEBI:32955); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);