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CHEBI:185976 - 7Z-punaglandin 3

ChEBI IDCHEBI:185976
ChEBI Name7Z-punaglandin 3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33ClO8
Net Charge0
Average Mass496.984
Monoisotopic Mass496.18640
SMILESCC/C=C\C/C=C\C[C@@]1(O)C=C(Cl)C(=O)/C1=C\[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O
InChIInChI=1S/C25H33ClO8/c1-5-6-7-8-9-10-14-25(31)16-20(26)24(30)19(25)15-22(34-18(3)28)21(33-17(2)27)12-11-13-23(29)32-4/h6-7,9-10,15-16,21-22,31H,5,8,11-14H2,1-4H3/b7-6-,10-9-,19-15+/t21-,22-,25+/m0/s1
InChIKeyDWJPUNIYVACWRP-UAMRPQEESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
7Z-punaglandin 3 (CHEBI:185976) is a clavulone (CHEBI:36092)
IUPAC Name 
methyl (5S,6S,7Z)-5,6-diacetyloxy-7-[(2R)-4-chloro-2-hydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]-5-oxocyclopent-3-en-1-ylidene]heptanoate
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