EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200056 - Inonotusane C

Default Structure
ChEBI IDCHEBI:200056
ChEBI NameInonotusane C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O2
Net Charge0
Average Mass398.631
Monoisotopic Mass398.31848
SMILESC[C@H](/C=C/C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C27H42O2/c1-18(8-7-17-28)19-11-15-27(6)21-9-10-22-24(2,3)23(29)13-14-25(22,4)20(21)12-16-26(19,27)5/h7-8,17-19,22-23,29H,9-16H2,1-6H3/b8-7+/t18-,19-,22+,23+,25-,26-,27+/m1/s1
InChIKeyFFAHKEMMBZQSGI-BYIYCMQOSA-N
Species of MetaboliteComponentSourceComments
Inonotus obliquus (ncbitaxon:167356) - PubMed (25542686)
ChEBI Ontology
Outgoing Relation(s)
Inonotusane C (CHEBI:200056) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,4R)-4-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pent-2-enal