premithramycin A2
Chemical Formula:
C33H38O15
Molecular Weight:
674.654 Daltons
Monoisotopic Mass:
674.2210705513 Daltons
SMILES:
CC(=O)C3(C(=O)C4(OC2(CC(OC1(CC(O)C(O)C(C)O1))C(O)C(C)O2))([CH](C(OC)C=3O)CC6(=C(C(=O)4)C(O)=C5(C(O)=CC(O)=CC5=C6))))
InChI:
1S/C33H38O15/c1-11(34)23-29(41)30(44-4)17-7-15-5-14-6-16(35)8-18(36)24(14)28(40)25(15)32(43)33(17,31(23)42)48-22-10-20(27(39)13(3)46-22)47-21-9-19(37)26(38)12(2)45-21/h5-6,8,12-13,17,19-22,26-27,30,35-41H,7,9-10H2,1-4H3/t12-,13-,17+,19-,20-,21+,22+,26+,27-,30+,33-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14347
ChEBI:
32047
KEGG:
C12385
PubChem (CID):
443797
RefMet:
Premithramycin A2'
Seed:
cpd09138
MetaNetX:
MNXM92602