EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:214816 - CP-225,917

ChEBI IDCHEBI:214816
ChEBI NameCP-225,917
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H38O10
Net Charge0
Average Mass570.635
Monoisotopic Mass570.24650
SMILESC/C=C/CCCCC[C@@H]1C=C2[C@]3(CC(=O)O)CC4=C(C(=O)OC4=O)[C@H]([C@H]1C[C@@H](O)C(=O)CC/C=C/C)[C@@]2(O)OC3=O
InChIInChI=1S/C31H38O10/c1-3-5-7-8-9-11-12-18-14-23-30(17-24(34)35)16-20-25(28(37)40-27(20)36)26(31(23,39)41-29(30)38)19(18)15-22(33)21(32)13-10-6-4-2/h3-6,14,18-19,22,26,33,39H,7-13,15-17H2,1-2H3,(H,34,35)/b5-3+,6-4+/t18-,19+,22-,26+,30-,31+/m1/s1
InChIKeyPXJMQYXPSSIUGS-LZQVYANHSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies (ncbitaxon:1707701) - PubMed (9066758)
ChEBI Ontology
Outgoing Relation(s)
CP-225,917 (CHEBI:214816) has functional parent tetracarboxylic acid (CHEBI:35742)
CP-225,917 (CHEBI:214816) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[(1S,8R,11R,14S,15S)-11-hydroxy-15-[(E,2R)-2-hydroxy-3-oxooct-6-enyl]-14-[(E)-oct-6-enyl]-3,5,9-trioxo-4,10-dioxatetracyclo[9.4.0.02,6.08,12]pentadeca-2(6),12-dien-8-yl]acetic acid
Manual XrefsDatabases
78440493ChemSpider