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CHEBI:201224 - Spinosulfate A

ChEBI IDCHEBI:201224
ChEBI NameSpinosulfate A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52O12S2
Net Charge0
Average Mass716.912
Monoisotopic Mass716.29002
SMILESCCCCCCCCCCc1cc(O)cc(O)c1C(=O)O[C@@H](CCC)CCCCCCCc1cc(OS(=O)(=O)O)cc(OS(=O)(=O)O)c1
InChIInChI=1S/C34H52O12S2/c1-3-5-6-7-8-9-12-15-19-27-23-28(35)24-32(36)33(27)34(37)44-29(17-4-2)20-16-13-10-11-14-18-26-21-30(45-47(38,39)40)25-31(22-26)46-48(41,42)43/h21-25,29,35-36H,3-20H2,1-2H3,(H,38,39,40)(H,41,42,43)/t29-/m0/s1
InChIKeyZXOKOJPNQMQCSF-LJAQVGFWSA-N
ChEBI Ontology
Outgoing Relation(s)
Spinosulfate A (CHEBI:201224) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
11-(3,5-disulooxyphenyl)undecan-4-yl 2-decyl-4,6-dihydroxybenzoate
Manual XrefsDatabases
78434689ChemSpider