Mrv1652305221920372D 67 69 0 0 0 0 999 V2000 -5.0013 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -16.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -14.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -16.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -13.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -12.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -14.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -13.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -7.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -9.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -11.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -9.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -8.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -7.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -9.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -11.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -9.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 5 2 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 7 2 0 0 0 0 12 8 2 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 18 1 1 0 0 0 0 18 9 2 0 0 0 0 18 11 1 0 0 0 0 19 2 1 0 0 0 0 19 10 2 0 0 0 0 19 12 1 0 0 0 0 20 3 1 0 0 0 0 20 13 2 0 0 0 0 21 4 1 0 0 0 0 21 14 2 0 0 0 0 22 15 1 0 0 0 0 23 16 1 0 0 0 0 24 17 1 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 27 24 1 0 0 0 0 28 25 1 0 0 0 0 29 26 1 0 0 0 0 30 27 1 0 0 0 0 31 28 1 0 0 0 0 32 29 1 0 0 0 0 33 30 1 0 0 0 0 34 20 1 0 0 0 0 35 21 1 0 0 0 0 36 31 1 0 0 0 0 37 32 1 0 0 0 0 38 33 1 0 0 0 0 39 15 1 0 0 0 0 40 16 1 0 0 0 0 41 25 1 0 0 0 0 42 26 1 0 0 0 0 43 27 1 0 0 0 0 44 28 1 0 0 0 0 45 29 1 0 0 0 0 46 30 1 0 0 0 0 47 31 1 0 0 0 0 48 32 1 0 0 0 0 49 33 1 0 0 0 0 50 34 2 0 0 0 0 51 35 2 0 0 0 0 52 17 1 0 0 0 0 52 36 1 0 0 0 0 53 22 1 0 0 0 0 53 36 1 0 0 0 0 54 23 1 0 0 0 0 54 37 1 0 0 0 0 55 24 1 0 0 0 0 55 38 1 0 0 0 0 56 34 1 0 0 0 0 56 37 1 0 0 0 0 57 35 1 0 0 0 0 57 38 1 0 0 0 0 58 5 1 0 0 0 0 59 6 1 0 0 0 0 60 7 1 0 0 0 0 61 8 1 0 0 0 0 62 9 1 0 0 0 0 63 10 1 0 0 0 0 64 11 1 0 0 0 0 65 12 1 0 0 0 0 66 13 1 0 0 0 0 67 14 1 0 0 0 0 M END > FDB018634 > foodb > [H]/C(=C(/[H])\C(\[H])=C(/C)C([H])=C([H])C(\[H])=C(\C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)/C(/[H])=C(/C)C([H])=C([H])C(\[H])=C(/C)C(=O)OC1OC(CO)C(O)C(O)C1O > InChI=1S/C38H54O19/c1-18(11-7-13-20(3)34(50)56-37-32(48)29(45)26(42)23(16-40)54-37)9-5-6-10-19(2)12-8-14-21(4)35(51)57-38-33(49)30(46)27(43)24(55-38)17-52-36-31(47)28(44)25(41)22(15-39)53-36/h5-14,22-33,36-49H,15-17H2,1-4H3/b6-5+,11-7+,12-8+,18-9-,19-10+,20-13+,21-14- > CZSBHMFVVLYIQQ-UTHWXFQWSA-N > C38H54O19 > 814.824 > 814.325929546 > 17 > 111 > 85.3056091130749 > 0 > 11 > 0 > 0 > 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2Z,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate > 0.75 > -1.4401019349999997 > -3.43 > 1 > 3 > 0 > 12.19165258627106 > 11.74605090981471 > -3.648398008468183 > 312.05000000000007 > 201.07250000000013 > 17 > 0 > 3.06e-01 g/l > 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2Z,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate > 0 > FDB018634 > Crocin 2 $$$$