RefMet Compound Details
MW structure | 52398 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Pheophytin a | |
Systematic name | methyl(3R,21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate | |
SMILES | C=Cc1c(C)c2/C=C\3/[C@@H](C)[C@H](CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=N3)C3=c4c(c(C)/c(=C/C5=N/C(=C\c1[nH]2)/C(=C5CC)C)/[nH]4)C(=O)[C@@H]3C(=O)OC Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 870.565922 (neutral) |