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CHEBI:209051 - 12-hydroxy-sclerosporin

ChEBI IDCHEBI:209051
ChEBI Name12-hydroxy-sclerosporin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC1=C[C@@H]2[C@@H](C(C)CO)CC=C(C(=O)O)[C@@H]2CC1
InChIInChI=1S/C15H22O3/c1-9-3-4-12-13(15(17)18)6-5-11(10(2)8-16)14(12)7-9/h6-7,10-12,14,16H,3-5,8H2,1-2H3,(H,17,18)/t10?,11-,12+,14-/m1/s1
InChIKeyXBUHBZLIZBPSET-GPWHNMLOSA-N
Species of MetaboliteComponentSourceComments
Cadophora malorum (ncbitaxon:108018) - PubMed (20052971)
ChEBI Ontology
Outgoing Relation(s)
12-hydroxy-sclerosporin (CHEBI:209051) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4S,4aS,8aR)-4-(1-hydroxypropan-2-yl)-6-methyl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carboxylic acid
Manual XrefsDatabases
24683872ChemSpider