rhodoquinone-9
Chemical Formula:
C53H81NO3
Molecular Weight:
780.228 Daltons
Monoisotopic Mass:
779.6216454716 Daltons
SMILES:
CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(=O)C(N)=C(OC)C(=O)1))C
InChI:
1S/C53H81NO3/c1-39(2)21-13-22-40(3)23-14-24-41(4)25-15-26-42(5)27-16-28-43(6)29-17-30-44(7)31-18-32-45(8)33-19-34-46(9)35-20-36-47(10)37-38-49-48(11)51(55)50(54)53(57-12)52(49)56/h21,23,25,27,29,31,33,35,37H,13-20,22,24,26,28,30,32,34,36,38,54H2,1-12H3/b40-23+,41-25+,42-27+,43-29+,44-31+,45-33+,46-35+,47-37+
InChIKey:
Databases
MetaCyc:
CPD-9967
ChEBI:
140751
PubChem (CID):
25246233
Seed:
cpd25916
MetaNetX:
MNXM21579