Mrv0541 05061307252D 65 70 0 0 0 0 999 V2000 -5.2668 -0.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6957 -0.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7699 -4.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1289 -4.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9812 -2.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0670 -5.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2668 -0.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6957 -0.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0249 -3.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3839 -3.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6957 -2.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2600 -5.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1247 -5.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3625 -2.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3632 -8.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9812 -1.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3220 -4.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9812 0.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8318 -3.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1247 -5.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8391 -6.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6957 -3.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0051 -6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5380 -2.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1563 -8.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4102 -3.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1981 -6.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4102 -4.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6461 -6.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1507 -1.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3559 -9.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3262 -1.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1489 -9.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8890 -2.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7424 -9.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8391 -4.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5842 -7.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1247 -3.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9432 -7.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2763 -3.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5428 -8.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8391 -3.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1362 -7.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7498 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7698 -9.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9812 1.0867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0868 -2.5137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9812 -3.8633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5571 -7.2214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6957 -5.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9010 -5.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5879 -1.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7624 -10.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9389 -1.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3485 -10.4832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0645 -2.4064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5354 -9.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6596 -4.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7772 -7.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8697 -2.6662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4952 -8.1776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6636 -3.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2795 -8.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1008 -3.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7497 -8.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 6 2 0 0 0 0 16 1 2 0 0 0 0 16 2 1 0 0 0 0 16 5 1 0 0 0 0 17 3 2 0 0 0 0 17 4 1 0 0 0 0 17 6 1 0 0 0 0 18 7 2 0 0 0 0 18 8 1 0 0 0 0 19 9 2 0 0 0 0 19 10 1 0 0 0 0 20 13 1 0 0 0 0 21 13 2 0 0 0 0 22 11 1 0 0 0 0 23 12 1 0 0 0 0 24 14 1 0 0 0 0 25 15 1 0 0 0 0 26 22 1 0 0 0 0 27 23 1 0 0 0 0 28 20 1 0 0 0 0 28 26 1 0 0 0 0 29 21 1 0 0 0 0 29 27 1 0 0 0 0 30 24 1 0 0 0 0 31 25 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 20 2 0 0 0 0 37 21 1 0 0 0 0 38 26 2 0 0 0 0 39 27 2 0 0 0 0 40 34 1 0 0 0 0 41 35 1 0 0 0 0 42 36 1 0 0 0 0 42 38 1 0 0 0 0 42 40 1 0 0 0 0 43 37 1 0 0 0 0 43 39 1 0 0 0 0 43 41 1 0 0 0 0 44 14 1 0 0 0 0 45 15 1 0 0 0 0 46 18 1 0 0 0 0 47 19 1 0 0 0 0 48 22 2 0 0 0 0 49 23 2 0 0 0 0 50 28 2 0 0 0 0 51 29 2 0 0 0 0 52 30 1 0 0 0 0 53 31 1 0 0 0 0 54 32 1 0 0 0 0 55 33 1 0 0 0 0 56 34 1 0 0 0 0 57 35 1 0 0 0 0 58 36 1 0 0 0 0 59 37 2 0 0 0 0 60 38 1 0 0 0 0 61 39 1 0 0 0 0 62 42 1 0 0 0 0 63 43 1 0 0 0 0 64 24 1 0 0 0 0 64 40 1 0 0 0 0 65 25 1 0 0 0 0 65 41 1 0 0 0 0 M END > FDB012093 > foodb > OCC1OC(C(O)C(O)C1O)C1(O)C(O)=C(\C=C2/C(=O)C(C(=O)\C=C\C3=CC=C(O)C=C3)=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C2=O)C(=O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C1O > InChI=1S/C43H42O22/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-47,52-58,60-63H,14-15H2/b11-5+,12-6+,21-13+ > WLYGSPLCNKYESI-CAMZRRETSA-N > C43H42O22 > 910.7804 > 910.216773028 > 22 > 88.49953653139653 > 0 > 15 > 0 > 0 > (2E)-5,6-dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-({2,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-1,4-dien-1-yl}methylidene)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione > -0.03 > -3.0343463539999993 > -3.77 > 1 > 6 > -3 > -0.11409944716186793 > -0.8171211902290123 > -3.667354409153412 > 407.26000000000005 > 221.33750000000012 > 11 > 0 > 1.55e-01 g/l > (2E)-5,6-dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-({2,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-1,4-dien-1-yl}methylidene)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione > 0 > FDB012093 > Carthamin $$$$