13-deoxydaunorubicin

Chemical Formula:

C₂₇H₃₂NO₉

Molecular Weight:

514.551 Daltons

Monoisotopic Mass:

514.2077066313 Daltons

SMILES:

CCC4(CC(C3(C(=C2(C(C1(C(=CC=CC=1C(C2=C(C=3C4)O)=O)OC))=O))O))OC5(OC(C)C(O)C([N+])C5))O

InChI:

1S/C27H31NO9/c1-4-27(34)9-13-19(16(10-27)37-17-8-14(28)22(29)11(2)36-17)26(33)21-20(24(13)31)23(30)12-6-5-7-15(35-3)18(12)25(21)32/h5-7,11,14,16-17,22,29,31,33-34H,4,8-10,28H2,1-3H3/p+1/t11-,14-,16-,17-,22+,27-/m0/s1

InChIKey:

XAMIMZAWZUSOPA-JIGXQNLBSA-O

Synonyms

feudomycin A

Databases

MetaCyc: CPD-15733

PubChem (CID): 71668332

ChEBI: 75297

Seed: cpd09181

MetaNetX: MNXM6642

KEGG: C12429