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CHEBI:204854 - Sumalarin C

ChEBI IDCHEBI:204854
ChEBI NameSumalarin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O8S
Net Charge0
Average Mass412.460
Monoisotopic Mass412.11919
SMILESC[C@H]1CCC[C@H](SC[C@@H](O)C(=O)O)CC(=O)c2c(O)cc(O)cc2CC(=O)O1
InChIInChI=1S/C19H24O8S/c1-10-3-2-4-13(28-9-16(23)19(25)26)8-15(22)18-11(6-17(24)27-10)5-12(20)7-14(18)21/h5,7,10,13,16,20-21,23H,2-4,6,8-9H2,1H3,(H,25,26)/t10-,13-,16+/m0/s1
InChIKeyXQMZRINLFAOTEN-YNZJMPHRSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24195466)
ChEBI Ontology
Outgoing Relation(s)
Sumalarin C (CHEBI:204854) is a macrolide (CHEBI:25106)
IUPAC Name 
(2S)-3-[[(5S,9S)-13,15-dihydroxy-5-methyl-3,11-dioxo-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-9-yl]sulanyl]-2-hydroxypropanoic acid
Manual XrefsDatabases
30771278ChemSpider