Ketcher 01102012182D 1 1.00000 0.00000 0 60 64 0 1 0 999 V2000 13.4517 -11.7606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5863 -11.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6850 -10.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8193 -9.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -11.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5463 -9.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9514 -10.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8232 -11.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5458 -8.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9534 -11.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0857 -9.7601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4108 -8.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0911 -8.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2754 -8.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4065 -7.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1401 -8.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0008 -8.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1361 -7.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9944 -9.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8518 -10.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7180 -9.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8527 -11.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5853 -10.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7200 -11.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4517 -9.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4447 -8.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4636 -12.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3359 -13.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6032 -13.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3479 -14.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6152 -14.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4876 -14.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1964 -12.7402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4994 -15.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2203 -14.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7548 -14.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7667 -15.7829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4363 -16.2974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9018 -16.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9050 -17.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0339 -15.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0402 -17.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1691 -16.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1723 -17.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7733 -17.7839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3075 -17.7952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0436 -18.7899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3011 -15.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8254 -12.8045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5683 -15.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7034 -16.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5649 -14.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8354 -15.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6969 -14.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 -14.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7069 -17.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9638 -14.3081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9706 -16.3088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6934 -13.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0895 -11.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 3 4 1 0 0 0 3 5 2 0 0 0 3 6 1 0 0 0 4 7 2 0 0 0 5 8 1 0 0 0 6 9 2 0 0 0 7 10 1 0 0 0 7 11 1 0 0 0 9 12 1 0 0 0 11 13 1 0 0 0 12 14 1 0 0 0 12 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 16 18 2 0 0 0 17 19 2 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 20 22 2 0 0 0 21 23 2 0 0 0 22 24 1 0 0 0 23 2 1 0 0 0 23 25 1 0 0 0 25 26 1 0 0 0 8 10 2 0 0 0 24 2 2 0 0 0 27 28 1 0 0 0 27 29 1 0 0 0 28 30 1 0 0 0 29 31 1 0 0 0 30 32 1 0 0 0 31 32 1 0 0 0 28 33 1 6 0 0 32 34 1 6 0 0 30 35 1 1 0 0 31 36 1 1 0 0 27 1 1 1 0 0 36 37 1 0 0 0 39 40 1 0 0 0 39 41 1 0 0 0 40 42 1 0 0 0 41 43 1 0 0 0 42 44 1 0 0 0 43 44 1 0 0 0 40 45 1 6 0 0 44 46 1 6 0 0 42 47 1 1 0 0 43 48 1 1 0 0 48 38 1 0 0 0 39 37 1 1 0 0 50 51 1 0 0 0 50 52 1 0 0 0 51 53 1 0 0 0 52 54 1 0 0 0 53 55 1 0 0 0 54 55 1 0 0 0 51 56 1 6 0 0 55 57 1 6 0 0 53 58 1 1 0 0 54 59 1 1 0 0 59 49 1 0 0 0 50 38 1 1 0 0 10 60 1 0 0 0 M END > CHEBI:145772 > curcumin 4'-O-beta-D-gentiotrioside > A glycoside that is curcumin substituted by a β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside group at position 4'. > 3 > 4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dien-1-yl]-2-methoxyphenyl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside > C39H50O21 > 854.808 > 854.28446 > 0 > O(C=1C(=CC(\C=C\C(CC(\C=C\C=2C=C(C(=CC2)O)OC)=O)=O)=CC1)OC)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O)O > InChI=1S/C39H50O21/c1-53-23-11-17(5-9-21(23)43)3-7-19(41)13-20(42)8-4-18-6-10-22(24(12-18)54-2)57-39-36(52)33(49)30(46)27(60-39)16-56-38-35(51)32(48)29(45)26(59-38)15-55-37-34(50)31(47)28(44)25(14-40)58-37/h3-12,25-40,43-52H,13-16H2,1-2H3/b7-3+,8-4+/t25-,26-,27-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38-,39-/m1/s1 > NRHNDSUHHPFVQG-LJIYMGBBSA-N > CPD-14835 > 14644434; 19561332 $$$$