(3aS)-jadomycin B
Chemical Formula:
C30H31NO9
Molecular Weight:
549.576 Daltons
Monoisotopic Mass:
549.1998815992 Daltons
SMILES:
CCC(C)[CH]1(C(=O)O[CH]3(N1C4(=C(C2(=C(O)C=C(C)C=C23))C(=O)C6(=C(C(=O)4)C(OC5(CC(O)C(O)C(C)O5))=CC=C6))))
InChI:
1S/C30H31NO9/c1-5-13(3)24-30(37)40-29-16-9-12(2)10-17(32)21(16)23-25(31(24)29)28(36)22-15(27(23)35)7-6-8-19(22)39-20-11-18(33)26(34)14(4)38-20/h6-10,13-14,18,20,24,26,29,32-34H,5,11H2,1-4H3/t13-,14-,18+,20-,24-,26-,29-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-12934
Seed:
cpd09148
MetaNetX:
MNXM58507
PubChem (CID):
50986109