15-demethoxyaclacinomycin T
Chemical Formula:
C29H33NO10
Molecular Weight:
555.58 Daltons
Monoisotopic Mass:
556.2182713176 Daltons
SMILES:
CCC4(C(C(=O)[O-])C3(=CC2(C(C1(C=CC=C(C=1C(C=2C(=C3C(C4)OC5(CC(C(C(C)O5)O)[N+](C)C))O)=O)O))=O)))O
InChI:
1S/C29H33NO10/c1-5-29(38)11-18(40-19-10-16(30(3)4)24(32)12(2)39-19)21-14(23(29)28(36)37)9-15-22(27(21)35)26(34)20-13(25(15)33)7-6-8-17(20)31/h6-9,12,16,18-19,23-24,31-32,35,38H,5,10-11H2,1-4H3,(H,36,37)/t12-,16-,18-,19-,23-,24+,29+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-15542
ChEBI:
74354
PubChem (CID):
71627211
MetaboLights:
MTBLC74620
MetaNetX:
MNXM145799
KEGG:
C20689