Mrv0541 02241220392D 69 74 0 0 0 0 999 V2000 -7.1203 2.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8347 2.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8347 1.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1203 1.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4058 1.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4058 2.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6913 2.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6913 1.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9769 1.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9769 2.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2624 2.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5479 4.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2624 3.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5479 2.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8335 2.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8335 3.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6913 0.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1203 0.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 4.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5479 4.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5492 2.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8499 -0.8597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0249 -0.8597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6124 -0.1453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0249 0.5692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8499 0.5692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2624 -0.1453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2624 1.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6124 1.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7874 -0.1453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6124 -1.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2624 -1.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0874 -1.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8045 -1.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5189 -1.9594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5189 -2.7844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8045 -3.1969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0900 -2.7844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0900 -1.9594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3755 -1.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3755 -3.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8045 -4.0219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2334 -3.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2334 -1.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9479 -1.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3769 -1.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0913 -2.3719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.0913 -3.1969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.3769 -3.6094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.6624 -3.1969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.6624 -2.3719 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.9479 -3.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3769 -4.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8058 -3.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8058 -1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5203 -2.3719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.9493 -4.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6637 -5.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6637 -6.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9493 -6.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2348 -6.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2348 -5.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9493 -4.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2348 -3.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2348 -2.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9493 -2.3719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.9493 -7.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5203 -6.4969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8058 -6.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 7 6 1 0 0 0 0 6 5 2 0 0 0 0 5 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 13 11 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 8 17 2 0 0 0 0 2 21 1 0 0 0 0 4 18 1 0 0 0 0 16 19 1 0 0 0 0 9 28 1 0 0 0 0 12 20 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 26 27 1 0 0 0 0 22 27 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 6 0 0 0 24 30 1 1 0 0 0 23 31 1 6 0 0 0 22 32 1 1 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 1 0 0 0 38 41 1 6 0 0 0 37 42 1 1 0 0 0 36 43 1 6 0 0 0 35 44 1 1 0 0 0 44 45 1 0 0 0 0 51 45 1 1 0 0 0 46 47 1 0 0 0 0 46 51 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 6 0 0 0 49 53 1 1 0 0 0 48 54 1 6 0 0 0 47 55 1 1 0 0 0 55 56 1 0 0 0 0 65 56 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 57 62 1 0 0 0 0 57 63 1 0 0 0 0 63 64 2 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 60 67 1 0 0 0 0 61 68 1 0 0 0 0 68 69 1 0 0 0 0 M END > CHEM026195 > chemdb > OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O.COC1=CC(\C=C\C(=O)OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)=CC=C1O > InChI=1S/C22H30O14.C21H20O12/c1-32-11-6-9(2-4-10(11)23)3-5-14(24)33-7-13-16(26)18(28)20(30)22(36-13)34-8-12-15(25)17(27)19(29)21(31)35-12;22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h2-6,12-13,15-23,25-31H,7-8H2,1H3;1-5,13,15,17-18,21-27,29-30H,6H2/b5-3+;/t12-,13-,15-,16-,17+,18+,19-,20-,21-,22-;13-,15-,17+,18-,21+/m11/s1 > XPLMPMNZBKCSDC-OFIFBVROSA-N > C43H50O26 > 982.8415 > 982.259031772 > 13 > 49.27231554627043 > 0 > 8 > 0 > 0 > 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one; [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}oxan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > -2.130720732999999 > 1 > 7 > 0 > 11.263742156111483 > 9.85007631966216 > -3.648659431638835 > 225.05999999999995 > 116.34849999999997 > 13 > 0 > [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}oxan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; isoquercitin > 0 > Quercetin 3-feruloyl-triglucoside $$$$