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CHEBI:222863 - Zhankuic acid methyl ester A

ChEBI IDCHEBI:222863
ChEBI NameZhankuic acid methyl ester A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O5
Net Charge0
Average Mass482.661
Monoisotopic Mass482.30322
SMILESC=C(CC[C@@H](C)[C@H]1CCC2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)C1CC3=O)C(C)C(=O)OC
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-WFFSUQLLSA-N
Species of MetaboliteComponentSourceComments
Taiwanofungus camphoratus (ncbitaxon:2696576) - DOI (10.1021/np50125a002)
ChEBI Ontology
Outgoing Relation(s)
Zhankuic acid methyl ester A (CHEBI:222863) is a ergostanoid (CHEBI:50403)
IUPAC Name 
methyl (6R)-2-methyl-3-methylidene-6-[(4S,10S,13R,17R)-4,10,13-trimethyl-3,7,11-trioxo-1,2,4,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoate
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