Ketcher 11071612162D 1 1.00000 0.00000 0 56 60 0 1 0 999 V2000 8.1901 -6.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6915 -3.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6915 -4.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4844 -5.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4844 -3.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2821 -3.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2777 -4.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0664 -5.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8650 -4.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8693 -3.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 -3.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6579 -5.2221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2679 -5.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6865 -5.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4798 -6.3463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6526 -6.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6612 -7.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5035 -5.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5387 -6.3803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2045 -8.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5766 -7.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4141 -8.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4253 -9.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2272 -10.3566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0201 -9.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0047 -8.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4060 -8.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4077 -7.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3043 -9.0592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 -7.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6289 -5.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8945 -3.3768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4844 -2.4539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 -2.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6675 -3.3861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0612 -4.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4612 -2.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8068 -4.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8055 -4.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8666 -1.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8645 -1.0810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6627 -2.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1473 -1.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5866 -0.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5068 -0.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1108 0.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4897 -6.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0997 -3.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0997 -4.7537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3046 -3.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4612 -3.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2573 -3.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4589 -4.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6894 -1.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8945 -2.4538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6894 -1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 27 29 1 0 0 0 4 15 1 6 0 0 29 30 1 0 0 0 14 30 1 1 0 0 3 4 1 0 0 0 14 31 1 6 0 0 12 16 1 0 0 0 2 32 1 1 0 0 16 1 1 0 0 0 4 7 1 0 0 0 1 17 1 0 0 0 6 5 1 0 0 0 5 33 1 1 0 0 8 18 1 0 0 0 6 11 1 0 0 0 16 19 2 0 0 0 7 8 1 0 0 0 11 34 1 1 0 0 17 20 1 0 0 0 8 9 1 0 0 0 17 21 1 0 0 0 9 10 1 0 0 0 10 35 1 1 0 0 20 22 2 0 0 0 8 36 1 1 0 0 10 11 1 0 0 0 6 37 1 1 0 0 22 23 1 0 0 0 6 7 1 0 0 0 23 24 2 0 0 0 9 12 1 0 0 0 24 25 1 0 0 0 3 38 1 1 0 0 9 39 1 1 0 0 25 26 2 0 0 0 26 20 1 0 0 0 7 13 1 6 0 0 22 27 1 0 0 0 2 3 1 0 0 0 3 14 1 0 0 0 14 13 1 0 0 0 27 28 2 0 0 0 41 40 2 0 0 0 42 40 1 0 0 0 34 40 1 0 0 0 43 44 1 0 0 0 44 45 2 0 0 0 44 46 1 0 0 0 37 43 1 0 0 0 1 47 1 1 0 0 49 48 2 0 0 0 50 48 1 0 0 0 32 48 1 0 0 0 52 51 2 0 0 0 53 51 1 0 0 0 35 51 1 0 0 0 55 54 2 0 0 0 56 54 1 0 0 0 33 54 1 0 0 0 M END > CHEBI:132382 > tripfordine C > A sesquiterpene alkaloid with formula C36H45NO17, that is isolated from the root bark of Tripterygium hypoglaucum. > 3 > C36H45NO17 > 763.740 > 763.26875 > 0 > [C@@H]1(C(O[C@@]2([C@](O)([C@@]34[C@H](O)[C@@]([H])([C@H]([C@H]([C@@]3([C@@H](OC(=O)C)[C@H]2OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)[C@@](COC(C5=C(C1C)C=CN=C5)=O)(C)O4)C)[H])=O)C > InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-28-26(50-19(5)40)30(52-21(7)42)35(14-47-17(3)38)29(51-20(6)41)25(49-18(4)39)24-27(43)36(35,34(28,9)46)54-33(24,8)13-48-32(45)23-12-37-11-10-22(15)23/h10-12,15-16,24-30,43,46H,13-14H2,1-9H3/t15?,16-,24-,25-,26+,27-,28+,29-,30+,33+,34+,35-,36+/m1/s1 > INDHYPIBEYIOOF-CSDGJUIDSA-N > 911306-27-9 > 18617394 > C00041946 > 23252270 $$$$