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CHEBI:226529 - Iso-sulfomalleicyprol

ChEBI IDCHEBI:226529
ChEBI NameIso-sulfomalleicyprol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28O7S
Net Charge0
Average Mass388.482
Monoisotopic Mass388.15557
SMILESCCCCCCC/C=C(\C)C(=O)OC1(C2OC(=O)CC2S(=O)(=O)O)CC1
InChIInChI=1S/C18H28O7S/c1-3-4-5-6-7-8-9-13(2)17(20)25-18(10-11-18)16-14(26(21,22)23)12-15(19)24-16/h9,14,16H,3-8,10-12H2,1-2H3,(H,21,22,23)/b13-9+
InChIKeyWZHHVYZNLLMQMS-UKTHLTGXSA-N
Species of MetaboliteComponentSourceComments
Burkholderia (ncbitaxon:32008) - PubMed (31353766)
ChEBI Ontology
Outgoing Relation(s)
Iso-sulfomalleicyprol (CHEBI:226529) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
2-[1-[(E)-2-methyldec-2-enoyl]oxycyclopropyl]-5-oxooxolane-3-sulonic acid