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CHEBI:226289 - Anticin A

ChEBI IDCHEBI:226289
ChEBI NameAnticin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O4
Net Charge0
Average Mass454.651
Monoisotopic Mass454.30831
SMILESC=C(CC[C@@H](C)[C@H]1CCC2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)C1CC3)C(C)C(=O)O
InChIInChI=1S/C29H42O4/c1-16(18(3)27(32)33)7-8-17(2)21-11-12-23-20-9-10-22-19(4)24(30)13-14-28(22,5)26(20)25(31)15-29(21,23)6/h17-19,21-23H,1,7-15H2,2-6H3,(H,32,33)/t17-,18?,19+,21-,22?,23?,28+,29-/m1/s1
InChIKeyWTSUWKBKPMVEBO-JMDBEUEBSA-N
Species of MetaboliteComponentSourceComments
Taiwanofungus camphoratus (ncbitaxon:2696576) - DOI (10.1021/np50117a004)
ChEBI Ontology
Outgoing Relation(s)
Anticin A (CHEBI:226289) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(6R)-2-methyl-3-methylidene-6-[(4S,10S,13R,17R)-4,10,13-trimethyl-3,11-dioxo-2,4,5,6,7,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid
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78445320ChemSpider