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CHEBI:215138 - Helminthosporal acid

ChEBI IDCHEBI:215138
ChEBI NameHelminthosporal acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC1=C(C=O)[C@@H]2C(C(=O)O)[C@@]1(C)CC[C@@H]2C(C)C
InChIInChI=1S/C15H22O3/c1-8(2)10-5-6-15(4)9(3)11(7-16)12(10)13(15)14(17)18/h7-8,10,12-13H,5-6H2,1-4H3,(H,17,18)/t10-,12-,13?,15+/m1/s1
InChIKeyHXNYRJOYXPCWDK-OWXLFPTMSA-N
Species of MetaboliteComponentSourceComments
Bipolarisspecies (ncbitaxon:1756142) - PubMed (21401200)
ChEBI Ontology
Outgoing Relation(s)
Helminthosporal acid (CHEBI:215138) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,4R,5S)-6-ormyl-1,7-dimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-ene-8-carboxylic acid
Manual XrefsDatabases
68151741ChemSpider