10-carboxy-3-deoxycarminomycin

Chemical Formula:

C₂₇H₂₉NO₁₁

Molecular Weight:

543.526 Daltons

Monoisotopic Mass:

544.1818858113 Daltons

SMILES:

CCC4(CC(C3(C(=C2(C(C1(C(=CC=CC=1C(C2=C(C=3C(C([O-])=O)4)O)=O)O))=O))O))OC5(OC(C)C(O)C([N+])C5))O

InChI:

1S/C27H29NO11/c1-3-27(37)8-13(39-14-7-11(28)21(30)9(2)38-14)16-17(20(27)26(35)36)25(34)18-19(24(16)33)23(32)15-10(22(18)31)5-4-6-12(15)29/h4-6,9,11,13-14,20-21,29-30,33-34,37H,3,7-8,28H2,1-2H3,(H,35,36)/t9-,11-,13-,14-,20?,21+,27+/m0/s1

InChIKey:

MMYTYGXIKKVLES-SLBABESISA-N

Databases

MetaCyc: CPD-15739

PubChem (CID): 90658217

MetaboLights: MTBLC31047

KEGG: C12427

ChEBI: 31047

MetaNetX: MNXM163635

3DMET: B04624