10-carboxy-13-deoxydaunorubicin
Chemical Formula:
C28H31NO11
Molecular Weight:
557.553 Daltons
Monoisotopic Mass:
558.1975358755 Daltons
SMILES:
CCC4(CC(C3(C(=C2(C(C1(C(=CC=CC=1C(C2=C(C=3C(C([O-])=O)4)O)=O)OC))=O))O))OC5(OC(C)C(O)C([N+])C5))O
InChI:
1S/C28H31NO11/c1-4-28(37)9-14(40-15-8-12(29)22(30)10(2)39-15)17-18(21(28)27(35)36)26(34)19-20(25(17)33)24(32)16-11(23(19)31)6-5-7-13(16)38-3/h5-7,10,12,14-15,21-22,30,33-34,37H,4,8-9,29H2,1-3H3,(H,35,36)/t10-,12-,14-,15-,21?,22+,28+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-15740
PubChem (CID):
90657493
ChEBI:
77195
MetaNetX:
MNXM146338