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anhydrotetracycline

Properties

Image

Occurences in reactions

MNX_ID

MNXM3914

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₂H₂₂N₂O₇

charge

mass

426.1427

reference

chebi:58032

InChIKey

CXCVEERYMJZMMM-DOCRCCHOSA-N

InChI

InChI=1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30)/t11-,16-,22-/m0/s1

SMILES

Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]1C2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58032 chebi:58032	anhydrotetracycline (1S,4aS,12aS)-3-carbamoyl-1-(dimethylammonio)-4a,6,7-trihydroxy-11-methyl-4,5-dioxo-1,4,4a,5,12,12a-hexahydrotetracen-2-olate anhydrotetracycline zwitterion
kegg.compound:C02811 keggC:C02811	Anhydrotetracycline
seed.compound:cpd01820 seedM:cpd01820	Anhydrotetracycline (4S,4aS,12aS)-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide anhydrooxytetracycline anhydrotetracycline
CHEBI:17146 chebi:17146	anhydrotetracycline (4S,4aS,12aS)-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide Anhydrotetracycline
metacyc.compound:ANHYDROTETRACYCLINE metacycM:ANHYDROTETRACYCLINE	anhydrotetracycline (4S,4aS,12aS)-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide anhydrooxytetracycline
chebi:13833 chebi:22559 chebi:2728 keggC:M_C02811 seedM:M_cpd01820	secondary/obsolete/fantasy identifier