5a,11a-dehydrooxytetracycline
Chemical Formula:
C22H22N2O9
Molecular Weight:
458.424 Daltons
Monoisotopic Mass:
459.1403553476 Daltons
SMILES:
CC1(O)(C4(=C(C(=O)C2(C(=O)C3(O)(C(=O)C(C(=O)N)=C([O-])C([N+](C)C)[CH](C(O)C1=2)3)))C(O)=CC=C4))
InChI:
1S/C22H22N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,13-14,17,25,27-28,32-33H,1-3H3,(H2,23,31)/t13-,14+,17+,21-,22+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-19268
ChEBI:
133012
PubChem (CID):
121596245
Seed:
cpd19562
MetaNetX:
MNXM10345
KEGG:
C18296