CDK 1030232202 30 33 0 0 0 0 0 0 0 0999 V2000 4.5846 2.9005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0077 2.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8294 2.2662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5532 1.5037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1193 3.0386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7476 1.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8082 0.7191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2888 0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4913 2.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2686 1.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5806 0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2562 0.1060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3830 1.2538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4491 0.2775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6545 -0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5111 -0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9518 0.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8971 -0.3356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9590 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3437 1.7524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 0.8205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 -1.1202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2140 -2.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 2 1 0 0 0 0 4 2 1 1 0 0 0 3 5 1 6 0 0 0 3 6 1 0 0 0 0 7 4 1 0 0 0 0 8 4 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 6 0 0 0 7 11 1 0 0 0 0 8 12 1 6 0 0 0 13 8 1 0 0 0 0 11 14 2 0 0 0 0 15 11 1 6 0 0 0 12 16 2 0 0 0 0 13 17 1 1 0 0 0 15 18 1 0 0 0 0 19 15 1 0 0 0 0 17 20 2 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 1 0 0 0 24 19 1 0 0 0 0 20 25 1 0 0 0 0 23 26 1 1 0 0 0 24 27 1 6 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 9 12 1 0 0 0 0 13 15 1 0 0 0 0 20 23 1 0 0 0 0 22 24 1 0 0 0 0 M END > CHEBI:220226 > Flavichalasine A > 2 > C24H33NO5 > 415.530 > 415.23587 > 0 > O=C1[C@H](O)CCC([C@H]2[C@H]1[C@@H](O)C(=O)[C@@]34C(=O)N[C@H]([C@@H]3[C@H](C)C(=C[C@H]24)C)CC(C)C)=C > InChI=1S/C24H33NO5/c1-10(2)8-15-19-13(5)12(4)9-14-17-11(3)6-7-16(26)20(27)18(17)21(28)22(29)24(14,19)23(30)25-15/h9-10,13-19,21,26,28H,3,6-8H2,1-2,4-5H3,(H,25,30)/t13-,14-,15+,16-,17-,18-,19+,21-,24+/m1/s1 > GWFTZLXZGCZODE-FJYTZTPLSA-N $$$$