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CHEBI:227758 - Cyclothiocurvularin B

ChEBI IDCHEBI:227758
ChEBI NameCyclothiocurvularin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O8S
Net Charge0
Average Mass410.444
Monoisotopic Mass410.10354
SMILESC[C@H]1CCC[C@@H]2SC[C@](O)(C(=O)O)[C@H]2C(=O)c2c(O)cc(O)cc2CC(=O)O1
InChIInChI=1S/C19H22O8S/c1-9-3-2-4-13-16(19(26,8-28-13)18(24)25)17(23)15-10(6-14(22)27-9)5-11(20)7-12(15)21/h5,7,9,13,16,20-21,26H,2-4,6,8H2,1H3,(H,24,25)/t9-,13-,16+,19+/m0/s1
InChIKeyCATXBXDAUWOWMZ-JDWDLIMNSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27227682)
ChEBI Ontology
Outgoing Relation(s)
Cyclothiocurvularin B (CHEBI:227758) is a macrolide (CHEBI:25106)
IUPAC Name 
(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-carboxylic acid
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58196977ChemSpider