Chlorophyll-1.aptjmod
URL: https://nmrxiv.org/D748
Chemical Info
| InChI |
InChI=1S/C55H73N4O5.Mg/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;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37-,41-,51+;/m1./s1 |
| SMILES |
C=CC1=C2/C=C3\N=C(/C=C4/C(C)=C5C(=O)[C@@H](C(=O)OC)C6=C5N4[Mg]N2C(=C1C)/C=C1\N=C6[C@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H]1C)C(CC)=C3C |
| InChI Key |
ATNHDLDRLWWWCB-WFJQZQDESA-M |
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