RefMet Compound Details
MW structure | 56411 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Bacteriopheophytin a | |
Systematic name | methyl (3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-13,14-dihydrophorbine-21-carboxylate | |
SMILES | CC[C@@H]1[C@@H](C)/C/2=C/c3c(c(C)c(/C=C\4/[C@@H](C)[C@H](CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=N4)C4=c5c(c(C)/c(=C/C1=N2)/[nH]5)C(=O)[C@@H]4C(=O)OC)[nH]3)C(=O)C Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 888.576486 (neutral) |