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CHEBI:209633 - Tatenoic acid

Default Structure
ChEBI IDCHEBI:209633
ChEBI NameTatenoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36O4
Net Charge0
Average Mass376.537
Monoisotopic Mass376.26136
SMILESC=C1CCC2[C@@](C)(CC[C@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@]23C)[C@@H]1CC(=O)O
InChIInChI=1S/C23H36O4/c1-14-7-8-18-22(5,16(14)13-20(25)26)11-9-17-21(3,4)19(27-15(2)24)10-12-23(17,18)6/h16-19H,1,7-13H2,2-6H3,(H,25,26)/t16-,17+,18?,19+,22+,23+/m1/s1
InChIKeyOYRYQNANNSGCDK-FKMJIWNBSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (25142786)
ChEBI Ontology
Outgoing Relation(s)
Tatenoic acid (CHEBI:209633) is a 16-oxo steroid (CHEBI:47786)
IUPAC Name 
2-[(1R,4bR,7S,8aR,10aS)-7-acetyloxy-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]acetic acid