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CHEBI:205277 - Helminthosporic acid

ChEBI IDCHEBI:205277
ChEBI NameHelminthosporic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESCC1=C(C(=O)O)[C@@H]2C(CO)[C@@]1(C)CC[C@@H]2C(C)C
InChIInChI=1S/C15H24O3/c1-8(2)10-5-6-15(4)9(3)12(14(17)18)13(10)11(15)7-16/h8,10-11,13,16H,5-7H2,1-4H3,(H,17,18)/t10-,11?,13+,15+/m1/s1
InChIKeyRBCVCNVBAWEHLS-UNFRMQPBSA-N
Species of MetaboliteComponentSourceComments
Bipolarisspecies (ncbitaxon:1756142) - PubMed (21401200)
ChEBI Ontology
Outgoing Relation(s)
Helminthosporic acid (CHEBI:205277) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,4R,5S)-8-(hydroxymethyl)-1,7-dimethyl-4-propan-2-ylbicyclo[3.2.1]oct-6-ene-6-carboxylic acid
Manual XrefsDatabases
114928725ChemSpider