premithramycin B
Chemical Formula:
C53H72O24
Molecular Weight:
1093.137 Daltons
Monoisotopic Mass:
1092.4413532416 Daltons
SMILES:
CC9(C(OC2(CC(OC1(CC(O)C(O)C(C)O1))C(O)C(C)O2))=CC8(C(=C(O)C7(C(=O)C6(OC5(CC(OC4(CC(OC3(CC(O)(C)C(O)C(C)O3))C(O)C(C)O4))C(O)C(C)O5))(C(C(C(=O)C)=C(O)C(OC)[CH]6CC=7C=8)=O)))C(O)=9))
InChI:
1S/C53H72O24/c1-18-29(73-34-14-30(43(58)21(4)69-34)74-33-13-28(55)42(57)20(3)68-33)12-26-10-25-11-27-48(67-9)47(62)38(19(2)54)50(64)53(27,51(65)40(25)46(61)39(26)41(18)56)77-36-16-32(45(60)23(6)71-36)75-35-15-31(44(59)22(5)70-35)76-37-17-52(8,66)49(63)24(7)72-37/h10,12,20-24,27-28,30-37,42-45,48-49,55-63,66H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,42-,43-,44+,45-,48+,49-,52+,53-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14352
ChEBI:
32050
KEGG:
C12388
PubChem (CID):
443800
RefMet:
Premithramycin B
Seed:
cpd09141
MetaNetX:
MNXM92604