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CHEBI:227963 - 12-hydroxydehydrobotrydienol

Default Structure
ChEBI IDCHEBI:227963
ChEBI Name12-hydroxydehydrobotrydienol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCc1ccc2c(c1CO)[C@@](C)(CO)C[C@@]2(C)CO
InChIInChI=1S/C15H22O3/c1-10-4-5-12-13(11(10)6-16)15(3,9-18)7-14(12,2)8-17/h4-5,16-18H,6-9H2,1-3H3/t14-,15+/m0/s1
InChIKeyYPJRKTIWVUVMDI-LSDHHAIUSA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - PubMed (10691704)
ChEBI Ontology
Outgoing Relation(s)
12-hydroxydehydrobotrydienol (CHEBI:227963) is a indanes (CHEBI:46940)
IUPAC Name 
[(1R,3S)-1,3-bis(hydroxymethyl)-1,3,5-trimethyl-2H-inden-4-yl]methanol
Manual XrefsDatabases
8786057ChemSpider