ChEBI Marvin 09080511372D 33 36 0 0 1 0 999 V2000 4.8632 -3.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8632 -4.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1088 -2.8049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1088 -4.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5468 -4.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5468 -2.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4253 -4.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3010 -4.0306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4253 -3.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -4.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -2.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9846 -4.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9846 -2.8049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6447 -3.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6447 -4.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9873 -3.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9873 -4.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3518 -4.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3754 -5.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0590 -4.0306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9846 -1.9798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6683 -1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2539 -1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3518 -2.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5566 -1.9798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7653 -5.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2775 -4.8556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5902 -2.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9846 -5.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0853 -5.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5232 -5.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3010 -3.2056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3010 -2.3806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 6 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 9 3 1 0 0 0 0 3 25 1 1 0 0 0 3 28 1 6 0 0 0 7 4 1 0 0 0 0 30 4 2 0 0 0 0 8 5 1 0 0 0 0 31 5 2 0 0 0 0 32 6 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 32 8 1 0 0 0 0 12 8 1 0 0 0 0 8 27 1 6 0 0 0 13 32 1 0 0 0 0 11 9 1 0 0 0 0 17 10 2 0 0 0 0 26 10 1 0 0 0 0 16 11 2 0 0 0 0 15 12 1 0 0 0 0 29 12 2 0 0 0 0 14 13 1 0 0 0 0 13 21 1 6 0 0 0 15 14 2 0 0 0 0 24 14 1 0 0 0 0 18 15 1 0 0 0 0 17 16 1 0 0 0 0 19 18 2 0 0 0 0 20 18 1 0 0 0 0 22 21 1 0 0 0 0 23 21 1 0 0 0 0 32 33 1 6 0 0 0 M END > CHEBI:15808 > 12-dehydrotetracycline > The 12-dehydro derivative of tetracycline. > 3 > CHEBI:11316; CHEBI:739; CHEBI:19136 > 12-Dehydrotetracycline; 12-Dehydrotetracycline > (4S,4aS,6S,12aS)-4-dimethylamino-3,6,10,12a-tetrahydroxy-6-methyl-1,11,12-trioxo-1,4,4a,5,6,11,12,12a-octahydrotetracene-2-carboxamide > C22H22N2O8 > 442.41876 > 442.13762 > 0 > [H][C@@]12CC3=C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C > InChI=1S/C22H22N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,10,15,25,27,31-32H,7H2,1-3H3,(H2,23,30)/t10-,15-,21+,22-/m0/s1 > DUAVZCXHIINBQU-ILGMQVKHSA-N > C03206 $$$$