CHEBI:217274 - Colletoic acid

ChEBI IDCHEBI:217274
ChEBI NameColletoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESCC1=CC[C@@]2(C[C@@H]1O)[C@@H](C(=O)O)CC[C@H]2C(C)C
InChIInChI=1S/C15H24O3/c1-9(2)11-4-5-12(14(17)18)15(11)7-6-10(3)13(16)8-15/h6,9,11-13,16H,4-5,7-8H2,1-3H3,(H,17,18)/t11-,12+,13-,15-/m0/s1
InChIKeyZIOMQRRFPWLXDN-XFMPKHEZSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum gloeosporioides (ncbitaxon:474922) - PubMed (18503191)
ChEBI Ontology
Outgoing Relation(s)
Colletoic acid (CHEBI:217274) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1S,4S,5S,9S)-9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid
Manual XrefsDatabases
28285092ChemSpider
7H6PDBeChem