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4-dedimethylamino-4-oxo-anhydrotetracycline

MNXM37410 is deprecated and here replaced by MNXM735056
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735056 Image of MNXM735056
referencechebi:132737
formulaC20H14NO8
global charge-1
mol weight396.331
InChIKeyOJQSYBOSDDVFNO-LXGOIASLSA-M
InChIInChI=1S/C20H15NO8/c1-6-7-3-2-4-10(22)11(7)15(24)12-8(6)5-9-14(23)16(25)13(19(21)28)18(27)20(9,29)17(12)26/h2-4,9,22,24-25,29H,5H2,1H3,(H2,21,28)/p-1/t9-,20-/m0/s1
SMILESCC1=C2C=CC=C(O)C2=C(O)C2=C1C[C@H]1C(=O)C([O-])=C(C(N)=O)C(=O)[C@@]1(O)C2=O
MNX internals
InChI (mnx)InChI=1/C20H15NO8/c1-6-7-3-2-4-10(22)11(7)15(24)12-8(6)5-9-14(23)16(25)13(19(21)28)18(27)20(9,29)17(12)26/h2-4,9,22,24-25,29H,5H2,1H3,(H2,21,28)/t9-,20-/m0/s1 Image of MNXM735056
SMILES (mnx)[CH3:1][C:6]1=[C:7]2[CH:3]=[CH:2][CH:4]=[C:10]([OH:22])[C:11]2=[C:15]([OH:24])[C:12]2=[C:8]1[CH2:5][C@H:9]1[C:14](=[O:23])[C:16]([OH:25])=[C:13]([C:19](=[NH:21])[OH:28])[C:18](=[O:27])[C@@:20]1([OH:29])[C:17]2=[O:26]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:132737
chebi:132737
OJQSYBOSDDVFNO-LXGOIASLSA-M 		4-dedimethylamino-4-oxo-anhydrotetracycline
(4aS,12aR)-3-carbamoyl-4a,6,7-trihydroxy-11-methyl-1,4,5-trioxo-1,4,4a,5,12,12a-hexahydrotetracen-2-olate
4-de(dimethylamino)-4-oxoanhydrotetracycline(1-)

seed.compound:cpd04031
seedM:cpd04031
OJQSYBOSDDVFNO-LXGOIASLSA-M 		4-Dedimethylamino-4-oxo-anhydrotetracycline
(4aR,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-1,4,12-trioxo-4a,5-dihydrotetracene-2-carboxamide
4-Keto-ATC
4-Keto-anhydrotetracycline
4-Ketoanhydrotetracycline
4-dedimethylamino-4-oxoanhydrotetracycline
4-keto-ATC
4-oxo-anhydrotetracycline

kegg.compound:C06627
keggC:C06627
OJQSYBOSDDVFNO-LXGOIASLSA-N 		4-Keto-anhydrotetracycline
(4aR,12aS)-3,10,11,12a-Tetrahydroxy-6-methyl-1,4,12-trioxo-4a,5-dihydrotetracene-2-carboxamide
4-De(dimethylamino)-4-oxoanhydrotetracycline
4-Dedimethylamino-4-oxo-anhydrotetracycline
4-Keto-ATC
4-Ketoanhydrotetracycline

CHEBI:28408
chebi:28408
OJQSYBOSDDVFNO-LXGOIASLSA-N 		4-de(dimethylamino)-4-oxoanhydrotetracycline
(4aR,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-1,4,12-trioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide
4-Dedimethylamino-4-oxo-anhydrotetracycline
4-Keto-ATC
4-Ketoanhydrotetracycline

metacyc.compound:CPD-19272
metacycM:CPD-19272
OJQSYBOSDDVFNO-LXGOIASLSA-M 		4-dedimethylamino-4-oxoanhydrotetracycline
(4aR,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-1,4,12-trioxo-4a,5-dihydrotetracene-2-carboxamide
4-keto-ATC
4-oxo-anhydrotetracycline

chebi:1820
chebi:20356
keggC:M_C06627
seedM:M_cpd04031 		secondary/obsolete/fantasy identifier