EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221792 - KS-501

Default Structure
ChEBI IDCHEBI:221792
ChEBI NameKS-501
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H48O10
Net Charge0
Average Mass604.737
Monoisotopic Mass604.32475
SMILESCCCCCCCc1cc(O)cc(OC(=O)c2c(CCCCCCC)cc(O)cc2O[C@@H]2OC([C@H](O)CO)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C33H48O10/c1-3-5-7-9-11-13-21-15-23(35)18-25(16-21)41-32(40)28-22(14-12-10-8-6-4-2)17-24(36)19-27(28)42-33-30(39)29(38)31(43-33)26(37)20-34/h15-19,26,29-31,33-39H,3-14,20H2,1-2H3/t26-,29-,30-,31?,33-/m1/s1
InChIKeyMPAXORHHSMKMHV-ZUSOEIMYSA-N
Species of MetaboliteComponentSourceComments
Sporothrix (ncbitaxon:29907) - PubMed (2546910)
ChEBI Ontology
Outgoing Relation(s)
KS-501 (CHEBI:221792) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(3-heptyl-5-hydroxyphenyl) 2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoate
Manual XrefsDatabases
114481ChemSpider