CDK 1029232201 26 28 0 0 0 0 0 0 0 0999 V2000 8.1609 0.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8120 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5265 0.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8120 1.3751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9390 -0.5770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2410 0.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5738 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5265 1.7876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9555 0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2410 1.3751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8316 -0.0161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1449 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5265 2.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -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 0.0000 -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 0 0 0 0 3 5 1 0 0 0 0 6 3 1 0 0 0 0 3 7 1 1 0 0 0 4 8 1 1 0 0 0 9 4 1 0 0 0 0 6 10 1 6 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 8 13 1 6 0 0 0 9 14 1 6 0 0 0 12 15 1 6 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 11 10 1 6 0 0 0 M END > CHEBI:202510 > Isariotin D > 2 > (E)-N-[(1S,2S,4S,5S,6S,7R,8S)-1,5,7-trihydroxy-10-oxo-3-oxatricyclo[4.3.1.02,4]decan-8-yl]dec-2-enamide > C19H29NO6 > 367.442 > 367.19949 > 0 > O=C1[C@@]2(O)[C@H]3O[C@H]3[C@H]([C@@H]1[C@@H](O)[C@H](C2)NC(=O)/C=C/CCCCCCC)O > InChI=1S/C19H29NO6/c1-2-3-4-5-6-7-8-9-12(21)20-11-10-19(25)17(24)13(14(11)22)15(23)16-18(19)26-16/h8-9,11,13-16,18,22-23,25H,2-7,10H2,1H3,(H,20,21)/b9-8+/t11-,13-,14-,15-,16-,18-,19+/m0/s1 > RPNMQCNKXLDNIP-NONCFBCESA-N $$$$