3A-deolivosylpremithramycin B
Chemical Formula:
C47H62O21
Molecular Weight:
962.994 Daltons
Monoisotopic Mass:
962.3783590543 Daltons
SMILES:
CC8(C(OC1(CC(O)C(O)C(C)O1))=CC7(C(=C(O)C6(C(=O)C5(OC4(CC(OC3(CC(OC2(CC(O)(C)C(O)C(C)O2))C(O)C(C)O3))C(O)C(C)O4))(C(C(C(=O)C)=C(O)C(OC)[CH]5CC=6C=7)=O)))C(O)=8))
InChI:
1S/C47H62O21/c1-16-26(65-29-12-25(49)37(51)18(3)61-29)11-23-9-22-10-24-42(60-8)41(55)33(17(2)48)44(57)47(24,45(58)35(22)40(54)34(23)36(16)50)68-31-14-28(39(53)20(5)63-31)66-30-13-27(38(52)19(4)62-30)67-32-15-46(7,59)43(56)21(6)64-32/h9,11,18-21,24-25,27-32,37-39,42-43,49-56,59H,10,12-15H2,1-8H3/t18-,19-,20-,21-,24+,25-,27-,28-,29+,30+,31+,32+,37-,38+,39-,42+,43-,46+,47-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14351
ChEBI:
81905
KEGG:
C18710
PubChem (CID):
53297401
Seed:
cpd19973
MetaNetX:
MNXM10129