EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C22H30O5 |
| Net Charge | 0 |
| Average Mass | 374.477 |
| Monoisotopic Mass | 374.20932 |
| SMILES | O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)Cc2ccccc2)[C@H](O)C[C@@H]1O |
| InChI | InChI=1S/C22H30O5/c23-17(14-16-8-4-3-5-9-16)12-13-19-18(20(24)15-21(19)25)10-6-1-2-7-11-22(26)27/h1,3-6,8-9,12-13,17-21,23-25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t17-,18-,19-,20+,21-/m1/s1 |
| InChIKey | AVUYLHQSIMTBCQ-SDMFVQJASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| marine plankton environmental sample (ncbitaxon:632957) | endometabolome | MetaboLights (MTBLS3038) | |
| Cannabis sativa (ncbitaxon:3483) | inflorescence (BTO:0000628) | MetaboLights (MTBLS6032) | Strain: Cannabis sativa var. DMG265 |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 16-phenyl tetranor Prostaglandin F2alpha (CHEBI:189995) is a prostanoid (CHEBI:26347) |
| IUPAC Names |
|---|
| (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]cyclopentyl]hept-5-enoic acid |
| 7-[3,5-dihydroxy-2-(3-hydroxy-4-phenylbut-1-enyl)cyclopentyl]hept-5-enoic acid |