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CHEBI:202161 - 11-Hydroxydehydrobotrydienol

Default Structure
ChEBI IDCHEBI:202161
ChEBI Name11-Hydroxydehydrobotrydienol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC1(C)C[C@](C)(CO)c2c1ccc(CO)c2CO
InChIInChI=1S/C15H22O3/c1-14(2)8-15(3,9-18)13-11(7-17)10(6-16)4-5-12(13)14/h4-5,16-18H,6-9H2,1-3H3/t15-/m1/s1
InChIKeyJUCMRFKOKIZVPS-OAHLLOKOSA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - PubMed (10691704)
ChEBI Ontology
Outgoing Relation(s)
11-Hydroxydehydrobotrydienol (CHEBI:202161) is a indanes (CHEBI:46940)
IUPAC Name 
[(3S)-3,4-bis(hydroxymethyl)-1,1,3-trimethyl-2H-inden-5-yl]methanol
Manual XrefsDatabases
8833691ChemSpider