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CHEBI:146218 - 3-acetyl-4a,6,7,9,12a-pentahydroxy-4,5-dioxo-1,4,4a,5,12,12a-hexahydrotetracen-2-olate

ChEBI IDCHEBI:146218
ChEBI Name3-acetyl-4a,6,7,9,12a-pentahydroxy-4,5-dioxo-1,4,4a,5,12,12a-hexahydrotetracen-2-olate
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H15O9
Net Charge-1
Average Mass399.331
Monoisotopic Mass399.07216
SMILESCC(=O)C1=C([O-])CC2(O)Cc3cc4cc(O)cc(O)c4c(O)c3C(=O)C2(O)C1=O
InChIInChI=1S/C20H16O9/c1-7(21)13-12(24)6-19(28)5-9-2-8-3-10(22)4-11(23)14(8)16(25)15(9)18(27)20(19,29)17(13)26/h2-4,22-25,28-29H,5-6H2,1H3/p-1
InChIKeyQUQTYIYOYNVOJS-UHFFFAOYSA-M
ChEBI Ontology
Outgoing 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)
3-acetyl-4a,6,7,9,12a-pentahydroxy-4,5-dioxo-1,4,4a,5,12,12a-hexahydrotetracen-2-olate (CHEBI:146218) is a organic molecular entity (CHEBI:50860)
UniProt Name  Source
2-acetyl-3,4a,8,10,11,12a-hexahydroxy-1,4,4a,5,12,12a-hexahydrotetracene-1,12-dioneUniProt
Citations