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CHEBI:227761 - Cyclothiocurvularin B methyl ester

ChEBI IDCHEBI:227761
ChEBI NameCyclothiocurvularin B methyl ester
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24O8S
Net Charge0
Average Mass424.471
Monoisotopic Mass424.11919
SMILESCOC(=O)[C@@]1(O)CS[C@H]2CCC[C@H](C)OC(=O)Cc3cc(O)cc(O)c3C(=O)[C@@H]21
InChIInChI=1S/C20H24O8S/c1-10-4-3-5-14-17(20(26,9-29-14)19(25)27-2)18(24)16-11(7-15(23)28-10)6-12(21)8-13(16)22/h6,8,10,14,17,21-22,26H,3-5,7,9H2,1-2H3/t10-,14-,17+,20+/m0/s1
InChIKeyHAKAZKJHADHNAJ-RJXQIVMGSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27227682)
ChEBI Ontology
Outgoing Relation(s)
Cyclothiocurvularin B methyl ester (CHEBI:227761) is a macrolide (CHEBI:25106)
IUPAC Name 
methyl (3S,4R,7S,11S)-4,17,19-trihydroxy-11-methyl-2,13-dioxo-12-oxa-6-thiatricyclo[13.4.0.03,7]nonadeca-1(15),16,18-triene-4-carboxylate
Manual XrefsDatabases
58196978ChemSpider