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CHEBI:227566 - Irpeksolactin C

ChEBI IDCHEBI:227566
ChEBI NameIrpeksolactin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O5
Net Charge0
Average Mass498.704
Monoisotopic Mass498.33452
SMILESC=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
InChIInChI=1S/C31H46O5/c1-17(2)18(3)9-10-19(27(35)36)24-25(33)26(34)31(8)21-11-12-22-28(4,5)23(32)14-15-29(22,6)20(21)13-16-30(24,31)7/h11,13,17,19,22,24-26,33-34H,3,9-10,12,14-16H2,1-2,4-8H3,(H,35,36)/t19-,22+,24+,25+,26+,29-,30-,31-/m1/s1
InChIKeyGEAOVZUTHMXBFG-FEGZTTCSSA-N
Species of MetaboliteComponentSourceComments
Irpex lacteus (ncbitaxon:5319) - PubMed (30851507)
ChEBI Ontology
Outgoing Relation(s)
Irpeksolactin C (CHEBI:227566) is a cholanoid (CHEBI:36078)
IUPAC Name 
(2R)-2-[(5R,10S,13R,14R,15R,16S,17R)-15,16-dihydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid