CDK 1030232201 35 35 0 0 0 0 0 0 0 0999 V2000 7.8592 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2881 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2881 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0013 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 4.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 5.7750 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 5 3 1 6 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 11 15 2 0 0 0 0 16 13 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 1 0 0 0 16 21 1 0 0 0 0 18 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 25 1 0 0 0 0 26 27 1 1 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 33 32 1 0 0 0 0 33 34 1 1 0 0 0 33 35 1 0 0 0 0 12 15 1 0 0 0 0 M END > CHEBI:216370 > Talapolyester D > 2 > [(2S)-4-methoxy-4-oxobutan-2-yl] 2,4-dihydroxy-6-[(2R)-2-[(3S)-4-hydroxy-3-[(3S)-3-hydroxybutanoyl]oxybutanoyl]oxypropyl]benzoate > C23H32O12 > 500.497 > 500.18938 > 0 > O=C(O[C@H](CC(=O)OC)C)C1=C(O)C=C(O)C=C1C[C@H](OC(=O)C[C@H](OC(=O)C[C@@H](O)C)CO)C > InChI=1S/C23H32O12/c1-12(25)5-20(29)35-17(11-24)10-21(30)33-13(2)6-15-8-16(26)9-18(27)22(15)23(31)34-14(3)7-19(28)32-4/h8-9,12-14,17,24-27H,5-7,10-11H2,1-4H3/t12-,13+,14-,17-/m0/s1 > BOBKKUAIQVWZHJ-LOUJCGABSA-N $$$$