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CHEBI:202497 - Antcin F

ChEBI IDCHEBI:202497
ChEBI NameAntcin F
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SubmitterMetaboLights
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FormulaC29H40O5
Net Charge0
Average Mass468.634
Monoisotopic Mass468.28757
SMILESC=C(CCC(C)C1CC=C2C3=C(C(=O)CC21C)C1(C)CCC(=O)[C@@H](C)C1C[C@@H]3O)C(C)C(=O)O
InChIInChI=1S/C29H40O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h10,16-19,21,23,31H,1,7-9,11-14H2,2-6H3,(H,33,34)/t16?,17?,18-,19?,21?,23-,28?,29?/m0/s1
InChIKeyZPSJWLSADLCKBZ-UGBDMSRZSA-N
Species of MetaboliteComponentSourceComments
Antrodia cinnamomea (ncbitaxon:279009) - DOI (10.1016/0031-9422(95)00541-2)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Antcin F (CHEBI:202497) is a bile acid (CHEBI:3098)
IUPAC Name 
6-[(4S,7S)-7-hydroxy-4,10,13-trimethyl-3,11-dioxo-2,4,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid
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