anhydrotetracycline

Chemical Formula:

C₂₂H₂₂N₂O₇

Molecular Weight:

426.425 Daltons

Monoisotopic Mass:

427.1505261034 Daltons

SMILES:

CC1(C4(=C(C(O)=C2(C(=O)C3(O)(C(=O)C(C(=O)N)=C([O-])C([N+](C)C)[CH](CC=12)3)))C(O)=CC=C4))

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

InChIKey:

CXCVEERYMJZMMM-DOCRCCHOSA-N

Synonyms

anhydrooxytetracycline
(4S,4aS,12aS)-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide

Databases

MetaCyc: ANHYDROTETRACYCLINE

RefMet: Anhydrotetracycline

ChEBI: 58032

PubChem (CID): 51527838 54675758

KEGG: C02811

NCI: 84885

CAS: 4496-85-9

Seed: cpd01820

MetaNetX: MNXM3914