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CHEBI:200582 - Leucopaxillone A

ChEBI IDCHEBI:200582
ChEBI NameLeucopaxillone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H54O7
Net Charge0
Average Mass574.799
Monoisotopic Mass574.38695
SMILESCC(=O)O[C@H](C[C@@H](OC(C)=O)C(C)(C)O)[C@@H](C)C1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)CC[C@]12CO
InChIInChI=1S/C34H54O7/c1-20(26(40-21(2)36)18-29(31(6,7)39)41-22(3)37)23-14-15-33(9)27-12-10-24-25(11-13-28(38)30(24,4)5)32(27,8)16-17-34(23,33)19-35/h10,20,23,25-27,29,35,39H,11-19H2,1-9H3/t20-,23?,25+,26+,27+,29+,32-,33-,34-/m0/s1
InChIKeyVNEQIRWUIXRANF-RJQDIVEQSA-N
Species of MetaboliteComponentSourceComments
Leucopaxillus gentianeus (ncbitaxon:181998) - PubMed (15568769)
Roles Classification
Biological Role:
allelochemical  A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory.
ChEBI Ontology
Outgoing Relation(s)
Leucopaxillone A (CHEBI:200582) is a cucurbitacin (CHEBI:16219)
IUPAC Name 
[(2S,3R,5R)-5-acetyloxy-6-hydroxy-2-[(8R,9R,10S,13S,14S)-13-(hydroxymethyl)-4,4,9,14-tetramethyl-3-oxo-1,2,7,8,10,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methylheptan-3-yl] acetate
Manual XrefsDatabases
9653518ChemSpider