29 32 0 0001 0 0 0 0 0999 V2000 -4.3855 1.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -5.2354 1.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -3.6434 1.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -4.8105 2.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -2.0576 1.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -2.9075 1.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -0.3640 1.1291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 -1.6326 1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -1.6389 0.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -5.9712 1.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -3.3599 0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -0.7890 1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -0.7953 0.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -4.5006 1.0608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 -5.9712 0.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 -4.2290 0.1369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 -4.8105 3.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -6.7070 1.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 -2.7510 0.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 -2.0576 2.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -2.0639 -0.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -0.3767 -0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -0.3640 2.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -5.5589 3.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -1.6326 3.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -1.6516 -1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -0.8017 -1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -0.7826 3.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -3.5920 2.7381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 2 10 1 1 2 4 1 0 3 6 1 0 3 11 1 1 3 14 1 0 4 17 1 1 5 6 1 0 5 8 1 0 5 9 1 0 7 13 1 0 7 12 1 0 8 12 2 0 8 20 1 0 9 13 2 0 9 21 1 0 10 15 2 0 10 18 1 0 11 16 2 0 11 19 1 0 12 23 1 0 13 22 1 0 17 24 1 0 20 25 2 0 21 26 2 0 22 27 2 0 23 28 2 0 25 28 1 0 26 27 1 0 1 29 1 1 M END > InChI=1S/C22H23NO5/c1-2-12-18(20(24)25)19(12)22(23,21(26)27)11-15-13-7-3-5-9-16(13)28-17-10-6-4-8-14(15)17/h3-10,12,15,18-19H,2,11,23H2,1H3,(H,24,25)(H,26,27)/t12-,18+,19+,22+/m1/s1 > NBAKIHCDPVZWRB-KQLBNOIASA-N > 1/1/N:24,17,25,26,28,27,20,21,23,22,6,4,8,9,5,12,13,2,1,10,11,3,14,15,18,16,19,7/E:(3,4)(5,6)(7,8)(9,10)(13,14)(16,17)(24,25)(26,27)/it:im/rA:29cCCCCCCOCCCCCCNOOCOOCCCCCCCCCH/rB:s1;s1;s1s2;;s3s5;;s5;s5;P2;P3;s7d8;s7d9;s3;d10;d11;P4;s10;s11;s8;s9;s13;s12;s17;d20;d21;d22s26;d23s25;P1;/rC:-4.3855,1.9791,0;-5.2354,1.9791,0;-3.6434,1.5541,0;-4.8105,2.7148,0;-2.0576,1.1291,0;-2.9075,1.7976,0;-.364,1.1291,0;-1.6326,1.8649,0;-1.6389,.3933,0;-5.9712,1.5414,0;-3.3599,.5492,0;-.789,1.8649,0;-.7953,.3933,0;-4.5006,1.0608,0;-5.9712,.6914,0;-4.229,.1369,0;-4.8105,3.5648,0;-6.707,1.9664,0;-2.751,.01,0;-2.0576,2.6007,0;-2.0639,-.3298,0;-.3767,-.3361,0;-.364,2.5943,0;-5.5589,3.9898,0;-1.6326,3.3302,0;-1.6516,-1.0592,0;-.8017,-1.0592,0;-.7826,3.3302,0;-3.592,2.7381,0; > C22 H23 N O5 > 381.4217 > [C@]1([H])([C@H](CC)[C@@H]1C(O)=O)[C@](N)(C(O)=O)CC1C2C=CC=CC=2OC2C=CC=CC1=2 > 28190823 $$$$