EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209754 - PM-toxin C

ChEBI IDCHEBI:209754
ChEBI NamePM-toxin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H66O9
Net Charge0
Average Mass630.904
Monoisotopic Mass630.47068
SMILESCCCCCC(O)CC(=O)CCCCCC(O)CC(=O)CCCCCC(O)CC(=O)CCCCCC(O)CC(O)CC(C)O
InChIInChI=1S/C35H66O9/c1-3-4-8-15-28(37)23-29(38)16-9-5-10-17-30(39)24-31(40)18-11-6-12-19-32(41)25-33(42)20-13-7-14-21-34(43)26-35(44)22-27(2)36/h27-28,30,32,34-37,39,41,43-44H,3-26H2,1-2H3
InChIKeyIVBYUIJBYSXZGX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Didymella maydis (ncbitaxon:259522) - DOI (10.1016/s0040-4039(00)94279-5)
ChEBI Ontology
Outgoing Relation(s)
PM-toxin C (CHEBI:209754) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
6,14,22,30,32,34-hexahydroxypentatriacontane-8,16,24-trione
Manual XrefsDatabases
78443688ChemSpider