EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:169636 - punaglandin 7

ChEBI IDCHEBI:169636
ChEBI Namepunaglandin 7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31ClO6
Net Charge0
Average Mass438.948
Monoisotopic Mass438.18092
SMILES[H][C@]1([C@H](/C=C\CCCC(=O)OC)OC(C)=O)C(=O)C(Cl)=C[C@]1(O)C/C=C\C/C=C\CC
InChIInChI=1S/C23H31ClO6/c1-4-5-6-7-8-12-15-23(28)16-18(24)22(27)21(23)19(30-17(2)25)13-10-9-11-14-20(26)29-3/h5-6,8,10,12-13,16,19,21,28H,4,7,9,11,14-15H2,1-3H3/b6-5-,12-8-,13-10-/t19-,21-,23+/m0/s1
InChIKeyNIDLGDABFKVBNX-HTGIGNFXSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
punaglandin 7 (CHEBI:169636) is a clavulone (CHEBI:36092)
IUPAC Name 
methyl (Z,7S)-7-acetyloxy-7-[(1R,2S)-4-chloro-2-hydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoate
Manual XrefsDatabases
4446380ChemSpider
LMFA03120044LIPID MAPS