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CHEBI:199861 - Tetronothiodin

ChEBI IDCHEBI:199861
ChEBI NameTetronothiodin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H38O8S
Net Charge0
Average Mass570.704
Monoisotopic Mass570.22874
SMILESCC1=CC2CC=CC=CCC(O)CC=CCC(C)C3C(CSC3C(=O)C(=O)O)C(=O)C3=C(O)C2(CC1C)OC3=O
InChIInChI=1S/C31H38O8S/c1-17-10-8-9-13-21(32)12-7-5-4-6-11-20-14-18(2)19(3)15-31(20)28(35)24(30(38)39-31)25(33)22-16-40-27(23(17)22)26(34)29(36)37/h4-9,14,17,19-23,27,32,35H,10-13,15-16H2,1-3H3,(H,36,37)
InChIKeyWWHAZVYADWRKPA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8436552)
ChEBI Ontology
Outgoing Relation(s)
Tetronothiodin (CHEBI:199861) is a macrolide (CHEBI:25106)
IUPAC Name 
2-(13,28-dihydroxy-3,4,18-trimethyl-24,26-dioxo-27-oxa-21-thiatetracyclo[23.2.1.01,6.019,23]octacosa-4,8,10,15,25(28)-pentaen-20-yl)-2-oxoacetic acid