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CHEBI:69357 - skimmiarepin A

ChEBI IDCHEBI:69357
ChEBI Nameskimmiarepin A
Stars
DefinitionA natural product found in Aegle marmelos.
Last Modified22 September 2014
DownloadsMolfile
FormulaC35H56O6
Net Charge0
Average Mass572.827
Monoisotopic Mass572.40769
SMILES[H][C@]12CC[C@]34C[C@]3(CC[C@@]4([H])[C@]3([H])C[C@]([H])([C@]4([H])OC4(C)C)OC3O)[C@]1(C)[C@H](O)C[C@@]1([H])C(C)(C)[C@H](OC(=O)CC(C)C)CC[C@]21C
InChIInChI=1S/C35H56O6/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/h19-26,28-29,36,38H,9-18H2,1-8H3/t20-,21-,22+,23+,24-,25+,26+,28-,29?,32+,33-,34+,35+/m0/s1
InChIKeyLEZNRZJCVJRZHO-YPEKPQOMSA-N
Species of MetaboliteComponentSourceComments
Aegle marmelos (ncbitaxon:68527) bark (BTO:0001301) PubMed (21875114) CH2Cl2-MeOH(1:1) extract of dried plant material(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)
skimmiarepin A (CHEBI:69357) has role metabolite (CHEBI:25212)
skimmiarepin A (CHEBI:69357) is a limonoid (CHEBI:39434)
Citations