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CHEBI:213113 - AD0157

ChEBI IDCHEBI:213113
ChEBI NameAD0157
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H40ClNO9
Net Charge0
Average Mass642.145
Monoisotopic Mass641.23916
SMILESC/C=C/C(=O)C1(O)CC2CC(C(=O)O)CC(C)C2C1C(=O)C1=C(/C=C/C)C(=O)C2(Cl)C3(CCCCCC)C(=O)NC(=O)C23C1=O
InChIInChI=1S/C34H40ClNO9/c1-5-8-9-10-13-32-29(43)36-30(44)33(32)27(40)23(20(11-6-2)26(39)34(32,33)35)25(38)24-22-17(4)14-18(28(41)42)15-19(22)16-31(24,45)21(37)12-7-3/h6-7,11-12,17-19,22,24,45H,5,8-10,13-16H2,1-4H3,(H,41,42)(H,36,43,44)/b11-6+,12-7+
InChIKeyVZROMKZGWLDIGZ-GNXRPPCSSA-N
Species of MetaboliteComponentSourceComments
Paraconiothyriumspecies (ncbitaxon:1696682) - PubMed (24441613)
ChEBI Ontology
Outgoing Relation(s)
AD0157 (CHEBI:213113) is a prostanoid (CHEBI:26347)
IUPAC Name 
2-[(E)-but-2-enoyl]-1-[6-chloro-5-hexyl-2,4,7,10-tetraoxo-8-[(E)-prop-1-enyl]-3-azatricyclo[4.4.0.01,5]dec-8-ene-9-carbonyl]-2-hydroxy-7-methyl-1,3,3a,4,5,6,7,7a-octahydroindene-5-carboxylic acid
Manual XrefsDatabases
58196881ChemSpider