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CHEBI:226801 - CP-263,114

ChEBI IDCHEBI:226801
ChEBI NameCP-263,114
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H36O9
Net Charge0
Average Mass552.620
Monoisotopic Mass552.23593
SMILESC/C=C/CCCCC[C@@H]1C=C2[C@]3(CC(=O)O)CC4=C(C(=O)OC4=O)[C@@H]4[C@H]1C[C@H](C(=O)CC/C=C/C)O[C@]24OC3=O
InChIInChI=1S/C31H36O9/c1-3-5-7-8-9-11-12-18-14-23-30(17-24(33)34)16-20-25(28(36)38-27(20)35)26-19(18)15-22(21(32)13-10-6-4-2)39-31(23,26)40-29(30)37/h3-6,14,18-19,22,26H,7-13,15-17H2,1-2H3,(H,33,34)/b5-3+,6-4+/t18-,19+,22-,26+,30-,31+/m1/s1
InChIKeyPZLSMKXFWOLXHD-LZQVYANHSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies (ncbitaxon:1707701) - PubMed (9066758)
ChEBI Ontology
Outgoing Relation(s)
CP-263,114 (CHEBI:226801) has functional parent tetracarboxylic acid (CHEBI:35742)
CP-263,114 (CHEBI:226801) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[(1R,2S,9R,12S,13S,15R)-15-[(E)-hex-4-enoyl]-12-[(E)-oct-6-enyl]-4,6,18-trioxo-5,16,17-trioxapentacyclo[7.7.2.01,10.02,13.03,7]octadeca-3(7),10-dien-9-yl]acetic acid
Manual XrefsDatabases
40257829ChemSpider