15-demethoxy-ε-rhodomycinone
Chemical Formula:
C21H17O9
Molecular Weight:
413.36 Daltons
Monoisotopic Mass:
414.0950821767 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))O)O
InChI:
1S/C21H18O9/c1-2-21(30)6-9(23)11-12(15(21)20(28)29)19(27)13-14(18(11)26)17(25)10-7(16(13)24)4-3-5-8(10)22/h3-5,9,15,22-23,26-27,30H,2,6H2,1H3,(H,28,29)/p-1/t9-,15-,21+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-15787
PubChem (CID):
90657196
MetaNetX:
MNXM147366