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CHEBI:70310 - zhankuic acid A methyl ester

ChEBI IDCHEBI:70310
ChEBI Namezhankuic acid A methyl ester
Stars
DefinitionAn ergostanoid that is the methyl ester of zhankuic acid A. It has been isolated from the fruiting bodies of Taiwanofungus camphoratus.
Last Modified26 May 2015
DownloadsMolfile
FormulaC30H42O5
Net Charge0
Average Mass482.661
Monoisotopic Mass482.30322
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=C)C(C)C(=O)OC)[C@@]1(C)CC(=O)C1=C2C(=O)C[C@@]2([H])[C@H](C)C(=O)CC[C@]12C
InChIInChI=1S/C30H42O5/c1-16(18(3)28(34)35-7)8-9-17(2)20-10-11-21-26-24(32)14-22-19(4)23(31)12-13-29(22,5)27(26)25(33)15-30(20,21)6/h17-22H,1,8-15H2,2-7H3/t17-,18?,19+,20-,21+,22+,29+,30-/m1/s1
InChIKeyNZJIIJSJLBIJDO-RTMVVRFTSA-N
Species of MetaboliteComponentSourceComments
Taiwanofungus camphoratus (ncbitaxon:196114) fruit body (BTO:0000487) PubMed (21028898) Parasitic to the inner heartwood wall of old hollow trunks of Cinnamomum kanehirai, EtOH extract
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
zhankuic acid A methyl ester (CHEBI:70310) has functional parent zhankuic acid A (CHEBI:66503)
zhankuic acid A methyl ester (CHEBI:70310) has role plant metabolite (CHEBI:76924)
zhankuic acid A methyl ester (CHEBI:70310) is a 11-oxo steroid (CHEBI:47787)
zhankuic acid A methyl ester (CHEBI:70310) is a 3-oxo steroid (CHEBI:47788)
zhankuic acid A methyl ester (CHEBI:70310) is a 7-oxo steroid (CHEBI:47789)
zhankuic acid A methyl ester (CHEBI:70310) is a ergostanoid (CHEBI:50403)
zhankuic acid A methyl ester (CHEBI:70310) is a steroid ester (CHEBI:47880)
IUPAC Name 
methyl (4α,5α)-4-methyl-3,7,11-trioxoergosta-8,24(28)-dien-26-oate
Registry NumbersSources
Reaxys:21087037Reaxys
Citations