CDK 1030232203 40 44 0 0 0 0 0 0 0 0999 V2000 -0.2107 -1.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0392 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5913 0.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1788 0.9920 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 0.6282 0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6050 1.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 0.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4290 5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 4.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 5.7750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8282 4.6405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0436 3.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0436 6.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8503 5.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 5.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2704 6.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8339 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 3 0 0 0 4 7 1 0 0 0 0 8 6 1 0 0 0 0 8 9 1 1 0 0 0 10 8 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 6 0 0 0 22 23 1 0 0 0 0 23 24 2 3 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 29 27 1 6 0 0 0 29 30 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 31 35 1 1 0 0 0 32 36 1 1 0 0 0 32 37 1 0 0 0 0 32 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 5 7 1 0 0 0 0 18 21 1 0 0 0 0 28 29 1 0 0 0 0 33 37 1 0 0 0 0 34 38 1 0 0 0 0 M END > CHEBI:227385 > Saponaceolide K > 2 > [(1S)-1-[(1S,3S)-3-[2-[(1S,3S,4S)-1-hydroxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,6'-oxane]-3'-ylidene]ethyl]-2,2-dimethyl-6-methylidenecyclohexyl]-2-(2-oxooxolan-3-ylidene)ethyl] acetate > C32H46O8 > 558.712 > 558.31927 > 0 > O=C1OCCC1=C[C@H](OC(=O)C)[C@H]2C(=C)CC[C@H](C2(C)C)CC=C3CO[C@]4(O[C@]5(O)C(C)(C)O[C@]4(CC5)C)CC3 > InChI=1S/C32H46O8/c1-20-8-10-24(28(3,4)26(20)25(38-21(2)33)18-23-13-17-36-27(23)34)11-9-22-12-14-32(37-19-22)30(7)15-16-31(35,40-32)29(5,6)39-30/h9,18,24-26,35H,1,8,10-17,19H2,2-7H3/t24-,25-,26+,30-,31-,32-/m0/s1 > WEACMKWCRPZOKI-BIOAAGCXSA-N $$$$