rifamycin B

Chemical Formula:

C₃₉H₄₇NO₁₄

Molecular Weight:

753.799 Daltons

Monoisotopic Mass:

755.3153052875 Daltons

SMILES:

CC2(C=CC=C(C)C(=O)NC1(C=C(OCC([O-])=O)C4(=C(C(O)=1)C([O-])=C(C)C3(OC(OC=CC(OC)C(C)C(C(C)C(O)C(C)C(O)2)OC(=O)C)(C)C(=O)C=34))))

InChI:

1S/C39H49NO14/c1-17-11-10-12-18(2)38(49)40-24-15-26(51-16-27(42)43)28-29(34(24)47)33(46)22(6)36-30(28)37(48)39(8,54-36)52-14-13-25(50-9)19(3)35(53-23(7)41)21(5)32(45)20(4)31(17)44/h10-15,17,19-21,25,31-32,35,44-47H,16H2,1-9H3,(H,40,49)(H,42,43)/p-2/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,31-,32+,35+,39-/m0/s1

InChIKey:

SQTCRTQCPJICLD-KTQDUKAHSA-L

Synonyms

rifamycin-B
4-O-(carboxymethyl)rifamycin

Databases

MetaCyc: RIFAMYCIN-B

ChEBI: 58306

PubChem (CID): 25245928 138319350

KEGG: C01848

NCI: 145604

CAS: 13929-35-6

Seed: cpd01271

MetaNetX: MNXM3353