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CHEBI:206799 - Daedaleanic acid F

ChEBI IDCHEBI:206799
ChEBI NameDaedaleanic acid F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H42O4
Net Charge0
Average Mass478.673
Monoisotopic Mass478.30831
SMILESC=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)c3cc(C)c4c(c3C=C[C@]12C)CCC(=O)C4(C)C)C(C)C
InChIInChI=1S/C31H42O4/c1-17(2)18(3)9-10-22(28(34)35)27-24(32)16-31(8)23-15-19(4)26-21(11-12-25(33)29(26,5)6)20(23)13-14-30(27,31)7/h13-15,17,22,24,27,32H,3,9-12,16H2,1-2,4-8H3,(H,34,35)/t22-,24-,27+,30-,31+/m1/s1
InChIKeyVIQLWFNMYGPXTQ-GZDFKEDFSA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - PubMed (31180673)
ChEBI Ontology
Outgoing Relation(s)
Daedaleanic acid F (CHEBI:206799) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(2R)-2-[(13R,14R,16R,17R)-16-hydroxy-4,4,6,13,14-pentamethyl-3-oxo-2,15,16,17-tetrahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid