Marvin 04121016062D 44 49 0 0 0 0 999 V2000 -1.6487 0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7096 1.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7305 1.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6696 0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6696 -0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7305 -1.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7096 -1.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6487 -0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0661 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8557 0.8557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8557 -0.8557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8348 -0.8557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0244 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8213 1.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0662 -1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -1.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6535 2.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4504 3.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0662 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8348 0.8557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 1.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4464 1.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6745 2.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2475 -2.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -3.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2135 -2.8840 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 -1.0240 -3.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 -3.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2135 -4.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0385 -4.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -2.0453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4400 -2.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1545 -3.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1545 -4.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -4.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 -4.5203 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.0244 -1.4609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8213 -1.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 15 1 1 0 0 0 0 1 11 2 0 0 0 0 2 3 2 0 0 0 0 24 2 1 0 0 0 0 20 2 1 0 0 0 0 3 4 1 0 0 0 0 4 12 2 0 0 0 0 17 4 1 0 0 0 0 5 6 2 0 0 0 0 12 5 1 0 0 0 0 23 5 1 0 0 0 0 6 7 1 0 0 0 0 7 13 1 0 0 0 0 7 18 2 0 0 0 0 8 28 1 0 0 0 0 29 8 2 0 0 0 0 13 8 1 0 0 0 0 9 28 2 0 0 0 0 14 9 1 0 0 0 0 37 9 1 0 0 0 0 10 11 1 0 0 0 0 14 10 2 0 0 0 0 43 10 1 0 0 0 0 20 15 2 0 0 0 0 15 16 1 0 0 0 0 17 23 2 0 0 0 0 17 27 1 0 0 0 0 18 29 1 0 0 0 0 18 19 1 0 0 0 0 43 37 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 32 30 1 0 0 0 0 30 31 2 0 0 0 0 32 34 1 0 0 0 0 34 33 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 39 38 1 0 0 0 0 37 38 1 1 0 0 0 39 40 1 0 0 0 0 40 42 1 0 0 0 0 40 41 2 0 0 0 0 43 44 1 6 0 0 0 M CHG 2 32 -1 42 -1 M END > CHEBI:58687 > pheophorbide a(2-) > Dianion of pheophorbide a. > 3 > pheophorbide a > 3-[(3S,4S)-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbin-21-id-3-yl]propanoate > C35H34N4O5 > 590.66830 > 590.25402 > -2 > CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC([O-])=O)[C@@H]4C)c4[c-](C(=O)OC)c(=O)c5c(C)c(cc1n2)[nH]c45)c(C)c3C=C > InChI=1S/C35H35N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,36,39H,1,9-11H2,2-7H3,(H,40,41)/q-1/p-1/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-/t17-,21-/m0/s1 > UXWYEAZHZLZDGM-ZVEVZSNKSA-M > CPD-7061 $$$$