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CHEBI:205597 - Chromosulfine

ChEBI IDCHEBI:205597
ChEBI NameChromosulfine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O9S
Net Charge0
Average Mass424.427
Monoisotopic Mass424.08280
SMILESCOC(=O)[C@@H](O)CS[C@@H]1Cc2c(oc3cc(C)cc(O)c3c2=O)[C@]1(O)C(=O)OC
InChIInChI=1S/C19H20O9S/c1-8-4-10(20)14-12(5-8)28-16-9(15(14)22)6-13(19(16,25)18(24)27-3)29-7-11(21)17(23)26-2/h4-5,11,13,20-21,25H,6-7H2,1-3H3/t11-,13+,19-/m0/s1
InChIKeyBBYTYJLBJZGSPN-XAEJFWIOSA-N
Species of MetaboliteComponentSourceComments
Talaromyces purpureogenus (ncbitaxon:1266744) - DOI (10.1039/c6ra06250d)
ChEBI Ontology
Outgoing Relation(s)
Chromosulfine (CHEBI:205597) is a chromones (CHEBI:23238)
IUPAC Name 
methyl (2R,3S)-3,8-dihydroxy-2-[(2R)-2-hydroxy-3-methoxy-3-oxopropyl]sulanyl-6-methyl-9-oxo-1,2-dihydrocyclopenta[b]chromene-3-carboxylate
Manual XrefsDatabases
58197015ChemSpider