premithramycin A3
Chemical Formula:
C41H52O18
Molecular Weight:
832.851 Daltons
Monoisotopic Mass:
832.315364867 Daltons
SMILES:
CC7(C(O)=CC6(C(=C(O)C5(C(=O)C4(OC3(CC(OC2(CC(OC1(CC(O)(C)C(O)C(C)O1))C(O)C(C)O2))C(O)C(C)O3))(C(C(C(=O)C)=C(O)C(OC)[CH]4CC=5C=6)=O)))C(O)=7))
InChI:
1S/C41H52O18/c1-14-22(43)10-20-8-19-9-21-36(53-7)35(48)28(15(2)42)38(50)41(21,39(51)30(19)34(47)29(20)31(14)44)59-26-12-24(33(46)17(4)55-26)57-25-11-23(32(45)16(3)54-25)58-27-13-40(6,52)37(49)18(5)56-27/h8,10,16-18,21,23-27,32-33,36-37,43-49,52H,9,11-13H2,1-7H3/t16-,17-,18-,21+,23-,24-,25+,26+,27+,32+,33-,36+,37-,40+,41-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14349
ChEBI:
32048
KEGG:
C12387
PubChem (CID):
443799
RefMet:
Premithramycin A3
Seed:
cpd19114
MetaNetX:
MNXM12739