neo-λ-carrabiose
Chemical Formula:
C12H19O20S3
Molecular Weight:
579.45 Daltons
Monoisotopic Mass:
581.9866552182 Daltons
SMILES:
C(O)C1(OC(O)C(OS(=O)(=O)[O-])C(C(O)1)OC2(OC(COS(=O)([O-])=O)C(O)C(O)C(OS(=O)(=O)[O-])2))
InChI:
1S/C12H22O20S3/c13-1-3-6(15)8(10(11(17)28-3)32-35(24,25)26)30-12-9(31-34(21,22)23)7(16)5(14)4(29-12)2-27-33(18,19)20/h3-17H,1-2H2,(H,18,19,20)(H,21,22,23)(H,24,25,26)/p-3/t3-,4-,5+,6+,7+,8+,9-,10-,11-,12-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-13453
PubChem (CID):
54758700
Seed:
cpd23888
MetaNetX:
MNXM19835