CDK 1018121543 33 35 0 0 0 0 0 0 0 0999 V2000 -0.7292 -17.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0208 -17.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6958 -17.7833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7292 -18.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 -22.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6958 -18.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0167 -19.0208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0583 -21.5708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5875 -18.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7292 -21.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5875 -17.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -19.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3917 -21.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -17.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -17.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -17.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -18.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 -22.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7292 -20.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 -19.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -16.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 -17.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 -22.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -21.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -19.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3042 -19.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -19.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 -17.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3167 -23.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 -23.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0167 -18.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 -16.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5875 -20.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 8 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 10 19 1 1 0 0 0 11 16 1 0 0 0 0 12 17 2 0 0 0 0 13 10 1 0 0 0 0 14 15 1 0 0 0 0 1 15 1 1 0 0 0 16 14 2 0 0 0 0 17 14 1 0 0 0 0 18 13 1 0 0 0 0 19 20 1 0 0 0 0 7 20 1 1 0 0 0 2 21 1 6 0 0 0 3 22 1 1 0 0 0 23 5 1 0 0 0 0 8 24 1 6 0 0 0 6 25 1 6 0 0 0 26 9 1 0 0 0 0 27 12 1 0 0 0 0 28 11 1 0 0 0 0 5 29 1 1 0 0 0 30 29 1 0 0 0 0 31 26 1 0 0 0 0 32 28 1 0 0 0 0 33 27 1 0 0 0 0 6 7 1 0 0 0 0 12 9 1 0 0 0 0 5 18 1 0 0 0 0 M END > CHEBI:68963 > 3,4,5-trimethoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside > A natural product found in Acer saccharum. > 2 > C20H30O13 > 478.44440 > 478.16864 > 0 > COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC > InChI=1S/C20H30O13/c1-27-10-4-9(5-11(28-2)16(10)29-3)32-18-15(24)14(23)13(22)12(33-18)6-30-19-17(25)20(26,7-21)8-31-19/h4-5,12-15,17-19,21-26H,6-8H2,1-3H3/t12-,13-,14+,15-,17+,18-,19-,20-/m1/s1 > CKGKQISENBKOCA-FHXQZXMCSA-N > 22032697 $$$$