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CHEBI:168504 - 9-Hydroxy-helminthosporol

ChEBI IDCHEBI:168504
ChEBI Name9-Hydroxy-helminthosporol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILES[H][C@]12C(C=O)=C(C)[C@](C)(CC[C@]1([H])C(C)(C)O)[C@H]2CO
InChIInChI=1S/C15H24O3/c1-9-10(7-16)13-11(14(2,3)18)5-6-15(9,4)12(13)8-17/h7,11-13,17-18H,5-6,8H2,1-4H3/t11-,12-,13-,15-/m0/s1
InChIKeyQFJIUZRBPKWCLG-ABHRYQDASA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
9-Hydroxy-helminthosporol (CHEBI:168504) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,4S,5R,8S)-8-(hydroxymethyl)-4-(2-hydroxypropan-2-yl)-1,7-dimethylbicyclo[3.2.1]oct-6-ene-6-carbaldehyde
Manual XrefsDatabases
9303906ChemSpider