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CHEBI:135830 - ecamsule

ChEBI IDCHEBI:135830
ChEBI Nameecamsule
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC28H34O8S2
Net Charge0
Average Mass562.706
Monoisotopic Mass562.16951
SMILESCC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2=Cc1ccc(C=C2C(=O)C3(CS(=O)(=O)O)CCC2C3(C)C)cc1
InChIInChI=1S/C28H34O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-22H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)
InChIKeyHEAHZSUCFKFERC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ecamsule (CHEBI:135830) is a monoterpenoid (CHEBI:25409)
Synonym  Source
Mexoryl SXDrugCentral
Manual XrefsDatabases
3171DrugCentral
Registry NumbersSources
CAS:92761-26-7DrugCentral