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CHEBI:197263 - 7-epi-7-J4-NeuroP

ChEBI IDCHEBI:197263
ChEBI Name7-epi-7-J4-NeuroP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESCC/C=C\C/C=C\C[C@@H]1C(=O)C=C[C@@H]1/C=C/[C@H](O)C/C=C\CCC(=O)O
InChIInChI=1S/C22H30O4/c1-2-3-4-5-6-9-12-20-18(15-17-21(20)24)14-16-19(23)11-8-7-10-13-22(25)26/h3-4,6-9,14-20,23H,2,5,10-13H2,1H3,(H,25,26)/b4-3-,8-7-,9-6-,16-14+/t18-,19+,20-/m0/s1
InChIKeyMXOPSUCJZLSXRJ-NERXNVSSSA-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)
7-epi-7-J4-NeuroP (CHEBI:197263) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(4Z,7R,8E)-7-hydroxy-9-[(1S,5S)-5-[(2Z,5Z)-octa-2,5-dienyl]-4-oxocyclopent-2-en-1-yl]nona-4,8-dienoic acid
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