EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:197798 - Fomitoside I

Default Structure
ChEBI IDCHEBI:197798
ChEBI NameFomitoside I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H58O8
Net Charge0
Average Mass618.852
Monoisotopic Mass618.41317
SMILESCC(C)=CCC[C@@H](C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O)[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/C36H58O8/c1-20(2)9-8-10-21(31(41)44-30-29(40)28(39)25(19-37)43-32(30)42)22-13-17-36(7)24-11-12-26-33(3,4)27(38)15-16-34(26,5)23(24)14-18-35(22,36)6/h9,21-22,25-30,32,37-40,42H,8,10-19H2,1-7H3/t21-,22-,25-,26+,27-,28-,29+,30-,32-,34-,35-,36+/m1/s1
InChIKeyJIESWXRJWVOIGO-NLXUJKFSSA-N
Species of MetaboliteComponentSourceComments
Fomitopsis pinicola (ncbitaxon:40483) - PubMed (15679320)
ChEBI Ontology
Outgoing Relation(s)
Fomitoside I (CHEBI:197798) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] (2R)-2-[(3R,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]-6-methylhept-5-enoate
Manual XrefsDatabases
78436274ChemSpider