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CHEBI:215730 - Citrinin hydrate

ChEBI IDCHEBI:215730
ChEBI NameCitrinin hydrate
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FormulaC13H16O6
Net Charge0
Average Mass268.265
Monoisotopic Mass268.09469
SMILESCc1c(O)c(C(=O)O)c(O)c2c1[C@H](C)[C@@H](C)OC2O
InChIInChI=1S/C13H16O6/c1-4-6(3)19-13(18)8-7(4)5(2)10(14)9(11(8)15)12(16)17/h4,6,13-15,18H,1-3H3,(H,16,17)/t4-,6-,13?/m1/s1
InChIKeyMBTAFMZUDOUGPS-UHDYMMKDSA-N
ChEBI Ontology
Outgoing Relation(s)
Citrinin hydrate (CHEBI:215730) is a benzenes (CHEBI:22712)
Citrinin hydrate (CHEBI:215730) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(3R,4S)-1,6,8-trihydroxy-3,4,5-trimethyl-3,4-dihydro-1H-isochromene-7-carboxylic acid
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9952466ChemSpider