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CHEBI:189348 - Mollisinol A

ChEBI IDCHEBI:189348
ChEBI NameMollisinol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H34O4
Net Charge0
Average Mass326.477
Monoisotopic Mass326.24571
SMILESCCCCC/C=C/C[C@@H]1O[C@H]1[C@H](O)CCCCCCC(=O)OC
InChIInChI=1S/C19H34O4/c1-3-4-5-6-7-11-14-17-19(23-17)16(20)13-10-8-9-12-15-18(21)22-2/h7,11,16-17,19-20H,3-6,8-10,12-15H2,1-2H3/b11-7+/t16-,17+,19+/m1/s1
InChIKeyCNQBJCXXCMJDMO-WCLWSHCHSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Mollisinol A (CHEBI:189348) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
methyl (8R)-8-hydroxy-8-[(2S,3S)-3-[(E)-oct-2-enyl]oxiran-2-yl]octanoate
Manual XrefsDatabases
78439569ChemSpider