CHEBI:197018 - 16-phenoxy tetranor Prostaglandin A2

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 16-phenoxy tetranor Prostaglandin A2
ChEBI ID CHEBI:197018
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H26O5
Net Charge 0
Average Mass 370.445
Monoisotopic Mass 370.17802
InChI InChI=1S/C22H26O5/c23-18(16-27-19-8-4-3-5-9-19)14-12-17-13-15-21(24)20(17)10-6-1-2-7-11-22(25)26/h1,3-6,8-9,12-15,17-18,20,23H,2,7,10-11,16H2,(H,25,26)/b6-1-,14-12+/t17-,18+,20+/m0/s1
InChIKey CARGFWOXPNIAKB-AVZZWIIXSA-N
SMILES O=C1[C@@H]([C@H](C=C1)/C=C/[C@@H](O)COC2=CC=CC=C2)C/C=C\CCCC(O)=O
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
ChEBI Ontology
Outgoing 16-phenoxy tetranor Prostaglandin A2 (CHEBI:197018) is a prostanoid (CHEBI:26347)
IUPAC Name
(Z)-7-[(1R,2S)-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
Manual Xref Database
32821248 ChemSpider
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