pheophytin a
Chemical Formula:
C55H74N4O5
Molecular Weight:
871.213 Daltons
Monoisotopic Mass:
870.5659215067001 Daltons
SMILES:
C=CC5(C(C)=C6(C=C1(C(C)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(=N1)C3(C(C(OC)=O)C(=O)C2(=C(C)C(NC2=3)=CC4(C(CC)=C(C)C(N=4)=CC=5N6))))))
InChI:
1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33-,37+,41+,51-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-8155
KEGG:
C05797
ChEBI:
44898
RefMet:
Pheophytin a
MetaNetX:
MNXM75042