premithramycin A1
Chemical Formula:
C27H28O12
Molecular Weight:
544.511 Daltons
Monoisotopic Mass:
544.158076364 Daltons
SMILES:
CC(=O)C2(C(=O)C3(OC1(CC(O)C(O)C(C)O1))([CH](C(OC)C=2O)CC5(=C(C(=O)3)C(O)=C4(C(O)=CC(O)=CC4=C5))))
InChI:
1S/C27H28O12/c1-9(28)18-23(34)24(37-3)14-6-12-4-11-5-13(29)7-15(30)19(11)22(33)20(12)26(36)27(14,25(18)35)39-17-8-16(31)21(32)10(2)38-17/h4-5,7,10,14,16-17,21,24,29-34H,6,8H2,1-3H3/t10-,14+,16-,17+,21-,24+,27-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-13966
ChEBI:
32046
KEGG:
C12384
PubChem (CID):
443796
RefMet:
Premithramycin A1
Seed:
cpd09137
MetaNetX:
MNXM6394