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CHEBI:221788 - KS-502

Default Structure
ChEBI IDCHEBI:221788
ChEBI NameKS-502
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SubmitterMetaboLights
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FormulaC34H48O12
Net Charge0
Average Mass648.746
Monoisotopic Mass648.31458
SMILESCCCCCCCc1cc(OC(=O)c2c(CCCCCCC)cc(O)cc2O[C@@H]2OC([C@H](O)CO)[C@H](O)[C@H]2O)cc(O)c1C(=O)O
InChIInChI=1S/C34H48O12/c1-3-5-7-9-11-13-20-15-22(36)17-26(45-34-30(40)29(39)31(46-34)25(38)19-35)28(20)33(43)44-23-16-21(14-12-10-8-6-4-2)27(32(41)42)24(37)18-23/h15-18,25,29-31,34-40H,3-14,19H2,1-2H3,(H,41,42)/t25-,29-,30-,31?,34-/m1/s1
InChIKeyDXFBFWMLNIWYDA-CEXITYCRSA-N
Species of MetaboliteComponentSourceComments
Sporothrix (ncbitaxon:29907) - PubMed (2546910)
ChEBI Ontology
Outgoing Relation(s)
KS-502 (CHEBI:221788) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
4-[2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoyl]oxy-2-heptyl-6-hydroxybenzoic acid
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114483ChemSpider