EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227941 - Fusaristerol C

ChEBI IDCHEBI:227941
ChEBI NameFusaristerol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O3
Net Charge0
Average Mass444.700
Monoisotopic Mass444.36035
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@@]1(C)CC[C@H]2C3=C[C@@H](O)C4C[C@@H](O)CC[C@]4(C)[C@]3(O)CC[C@@]21C
InChIInChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)26(5)13-11-22-23-17-25(31)24-16-21(30)10-12-28(24,7)29(23,32)15-14-27(22,26)6/h8-9,17-22,24-25,30-32H,10-16H2,1-7H3/b9-8+/t19-,20+,21-,22-,24?,25+,26+,27-,28-,29-/m0/s1
InChIKeyIJXNPQGUSGUOQC-JCLZURILSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - DOI (10.1016/j.phytol.2018.11.024)
ChEBI Ontology
Outgoing Relation(s)
Fusaristerol C (CHEBI:227941) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,6R,9R,10S,13S,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13,17-trimethyl-2,3,4,5,6,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,6,9-triol