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CHEBI:146217 - TAN-1612(1−)

ChEBI IDCHEBI:146217
ChEBI NameTAN-1612(1−)
Stars
ASCII NameTAN-1612(1-)
DefinitionAn enolate resulting from the deprotonation of the hydroxy group of the enol moiety of TAN-1612.
Last Modified9 March 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H17O9
Net Charge-1
Average Mass413.358
Monoisotopic Mass413.08781
SMILESCOc1cc(O)c2c(O)c3c(cc2c1)CC1(O)CC([O-])=C(C(C)=O)C(=O)C1(O)C3=O
InChIInChI=1S/C21H18O9/c1-8(22)14-13(24)7-20(28)6-10-3-9-4-11(30-2)5-12(23)15(9)17(25)16(10)19(27)21(20,29)18(14)26/h3-5,23-25,28-29H,6-7H2,1-2H3/p-1
InChIKeyCHBGBJNXHMNLOQ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
TAN-1612(1−) (CHEBI:146217) is a enolate (CHEBI:142839)
TAN-1612(1−) (CHEBI:146217) is conjugate base of TAN-1612 (CHEBI:133807)
Incoming Relation(s)
3-acetyl-4a,6,7,9,12a-pentahydroxy-4,5-dioxo-1,4,4a,5,12,12a-hexahydrotetracen-2-olate (CHEBI:146218) has functional parent TAN-1612(1−) (CHEBI:146217)
TAN-1612 (CHEBI:133807) is conjugate acid of TAN-1612(1−) (CHEBI:146217)
IUPAC Name 
3-acetyl-4a,6,7,12a-tetrahydroxy-9-methoxy-4,5-dioxo-1,4,4a,5,12,12a-hexahydrotetracen-2-olate
UniProt Name  Source
TAN-1612UniProt
Citations