rifamycin-O
Chemical Formula:
C39H47NO14
Molecular Weight:
753.799 Daltons
Monoisotopic Mass:
753.2996552233 Daltons
SMILES:
CC3(C=CC=C(C)C(=O)NC2(=CC1(OC(=O)CO1)C5(=C(C(=O)2)C(O)=C(C)C4(OC(OC=CC(OC)C(C)C(C(C)C(O)C(C)C(O)3)OC(=O)C)(C)C(=O)C=45))))
InChI:
1S/C39H47NO14/c1-17-11-10-12-18(2)37(48)40-24-15-39(51-16-26(42)53-39)29-27(33(24)46)32(45)22(6)35-28(29)36(47)38(8,54-35)50-14-13-25(49-9)19(3)34(52-23(7)41)21(5)31(44)20(4)30(17)43/h10-15,17,19-21,25,30-31,34,43-45H,16H2,1-9H3,(H,40,48)/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,30-,31+,34+,38-,39?/m0/s1
InChIKey:
Databases
MetaCyc:
RIFAMYCIN-O
MetaboLights:
MTBLC16324
LIPID MAPS:
LMPK05000004
PubChem (CID):
5280468
KEGG:
C01849
ChEBI:
16324
NCI:
182391
CAS:
14487-05-9
Seed:
cpd01272
MetaNetX:
MNXM4808