ε-rhodomycinone
Chemical Formula:
C22H20O9
Molecular Weight:
428.395 Daltons
Monoisotopic Mass:
428.1107322409 Daltons
SMILES:
CCC4(CC(C3(C(=C2(C(C1(C(=CC=CC=1C(C2=C(C=3C(C(=O)OC)4)O)=O)O))=O))O))O)O
InChI:
1S/C22H20O9/c1-3-22(30)7-10(24)12-13(16(22)21(29)31-2)20(28)14-15(19(12)27)18(26)11-8(17(14)25)5-4-6-9(11)23/h4-6,10,16,23-24,27-28,30H,3,7H2,1-2H3/t10-,16-,22+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-13972
RefMet:
Epsilon-rhodomycinone
MetaboLights:
MTBLC75291
ChEBI:
75291
KEGG:
C12425
PubChem (CID):
99207
Seed:
cpd09177
MetaNetX:
MNXM6478
3DMET:
B04622