EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218537 - Echinocidin B

ChEBI IDCHEBI:218537
ChEBI NameEchinocidin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESCC1(C)C[C@H]2C=C(CO)[C@]3(O)[C@H](O)C[C@]3(C)[C@H]2C1
InChIInChI=1S/C15H24O3/c1-13(2)5-9-4-10(8-16)15(18)12(17)7-14(15,3)11(9)6-13/h4,9,11-12,16-18H,5-8H2,1-3H3/t9-,11+,12-,14-,15+/m1/s1
InChIKeyXEIBLVWXVKKEQP-IUBWNAFWSA-N
Species of MetaboliteComponentSourceComments
Echinodontium tsugicola (ncbitaxon:112241) - DOI (10.1515/znb-2004-0810)
ChEBI Ontology
Outgoing Relation(s)
Echinocidin B (CHEBI:218537) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2R,2aS,4aS,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]indene-2,2a-diol
Manual XrefsDatabases
9588974ChemSpider