EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220387 - +)-(2R,4S,5R,8R)-4-deacetyl-botryenalol

ChEBI IDCHEBI:220387
ChEBI Name+)-(2R,4S,5R,8R)-4-deacetyl-botryenalol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESC[C@@H]1C[C@H](O)[C@H]2C(=C1C=O)[C@](C)(CO)CC2(C)C
InChIInChI=1S/C15H24O3/c1-9-5-11(18)13-12(10(9)6-16)15(4,8-17)7-14(13,2)3/h6,9,11,13,17-18H,5,7-8H2,1-4H3/t9-,11+,13+,15+/m1/s1
InChIKeyWMLLMRZLZKFVSY-XECBFPEOSA-N
Species of MetaboliteComponentSourceComments
Nemania bipapillata (ncbitaxon:110536) - PubMed (31444403)
ChEBI Ontology
Outgoing Relation(s)
+)-(2R,4S,5R,8R)-4-deacetyl-botryenalol (CHEBI:220387) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3R,5R,7S,7aR)-7-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-5,6,7,7a-tetrahydro-2H-indene-4-carbaldehyde
Manual XrefsDatabases
77089229ChemSpider