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CHEBI:146216 - 2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one

ChEBI IDCHEBI:146216
ChEBI Name2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one
Stars
DefinitionA member of the class of anthracenones that is 3,4-tetrahydroanthracen-1-one which is substituted by hydroxy groups at positions 2, 3, 6, 8 and 9, and a 2-oxopropyl group at position 3.
Last Modified11 May 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC17H16O7
Net Charge0
Average Mass332.308
Monoisotopic Mass332.08960
SMILESCC(=O)CC1(O)Cc2cc3cc(O)cc(O)c3c(O)c2C(=O)C1O
InChIInChI=1S/C17H16O7/c1-7(18)5-17(24)6-9-2-8-3-10(19)4-11(20)12(8)14(21)13(9)15(22)16(17)23/h2-4,16,19-21,23-24H,5-6H2,1H3
InChIKeyHHMCVNYEPCHWIX-UHFFFAOYSA-N
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) has functional parent asperthecin (CHEBI:64161)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) has role Aspergillus metabolite (CHEBI:76956)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) is a anthracenone (CHEBI:146281)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) is a aromatic ketone (CHEBI:76224)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) is a cyclic ketone (CHEBI:3992)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) is a methyl ketone (CHEBI:51867)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) is a phenols (CHEBI:33853)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) is a secondary alcohol (CHEBI:35681)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) is a tertiary alcohol (CHEBI:26878)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) is a α-hydroxy ketone (CHEBI:139588)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-3,4-dihydroanthracen-1(2H)-one
UniProt Name  Source
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-oneUniProt
Citations