RefMet Compound Details
MW structure | 148951 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Chlorophyll B | |
Systematic name | (7R,8R,9S,10R,13S,14R,17S)-7,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one | |
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[n-]2)/C(=C5CC)C=O)/[n-]4)C(=O)[C@@H]3C(=O)OC.[Mg+2] Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 906.514578 (neutral) |