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CHEBI:197149 - ent-16-epi-13-J4-NeuroP

ChEBI IDCHEBI:197149
ChEBI Nameent-16-epi-13-J4-NeuroP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESCC[C@H]1C(=O)C=C[C@@H]1/C=C/[C@H](O)C/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H30O4/c1-2-20-18(15-17-21(20)24)14-16-19(23)12-10-8-6-4-3-5-7-9-11-13-22(25)26/h3-4,7-10,14-20,23H,2,5-6,11-13H2,1H3,(H,25,26)/b4-3-,9-7-,10-8-,16-14+/t18-,19+,20+/m0/s1
InChIKeyVDNXNFTWHWSBCI-MVHVDVQTSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
ent-16-epi-13-J4-NeuroP (CHEBI:197149) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(4Z,7Z,10Z,13R,14E)-15-[(1S,5R)-5-ethyl-4-oxocyclopent-2-en-1-yl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid
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