aclacinomycin S

Chemical Formula:

C₃₆H₄₆NO₁₃

Molecular Weight:

700.758 Daltons

Monoisotopic Mass:

700.2969155691 Daltons

SMILES:

CCC4(C(C(=O)OC)C3(=CC2(C(C1(C=CC=C(C=1C(C=2C(=C3C(C4)OC5(CC(C(C(C)O5)OC6(CC(C(C(C)O6)O)O))[N+](C)C))O)=O)O))=O)))O

InChI:

1S/C36H45NO13/c1-7-36(45)14-23(49-24-12-20(37(4)5)34(16(3)48-24)50-25-13-22(39)30(40)15(2)47-25)27-18(29(36)35(44)46-6)11-19-28(33(27)43)32(42)26-17(31(19)41)9-8-10-21(26)38/h8-11,15-16,20,22-25,29-30,34,38-40,43,45H,7,12-14H2,1-6H3/p+1/t15-,16-,20-,22-,23-,24-,25-,29-,30+,34+,36+/m0/s1

InChIKey:

DNZPQXXGAMXDHH-FCNQEGBTSA-O

Synonyms

2-deoxy-fucosyl-rhodosaminyl-aklavinone

Databases

MetaCyc: CPD-15765

PubChem (CID): 90659161

Seed: cpd19898

MetaNetX: MNXM10560

KEGG: C18635