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CHEBI:197012 - 4-epi-4-A4-NeuroP

ChEBI IDCHEBI:197012
ChEBI Name4-epi-4-A4-NeuroP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESCC/C=C\C/C=C\C/C=C\C[C@@H]1C=CC(=O)[C@@H]1/C=C/[C@H](O)CCC(=O)O
InChIInChI=1S/C22H30O4/c1-2-3-4-5-6-7-8-9-10-11-18-12-16-21(24)20(18)15-13-19(23)14-17-22(25)26/h3-4,6-7,9-10,12-13,15-16,18-20,23H,2,5,8,11,14,17H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,15-13+/t18-,19+,20-/m1/s1
InChIKeyUBHADOIVPSTTIO-NFXNREBWSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
4-epi-4-A4-NeuroP (CHEBI:197012) is a prostanoid (CHEBI:26347)
IUPAC Name 
(E,4R)-4-hydroxy-6-[(1R,5R)-2-oxo-5-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]cyclopent-3-en-1-yl]hex-5-enoic acid
Manual XrefsDatabases
LMFA04010395LIPID MAPS
113370411ChemSpider