Mrv1652306242119543D 60 60 0 0 0 0 999 V2000 7.9064 2.5072 -2.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3908 1.8334 -1.2662 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3429 0.8608 -1.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1001 0.8630 -1.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5601 1.8831 -0.3103 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0348 1.4614 0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9796 0.2747 1.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4246 -0.9988 1.0329 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5782 -2.1253 0.7422 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3075 -2.2471 0.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3463 -1.1939 1.1460 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6016 -1.5995 2.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6777 -1.7289 2.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 -1.4685 1.1682 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2802 -2.6721 0.7506 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1599 -2.6154 -0.4050 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3275 -1.7325 -0.4970 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1871 -0.2938 -0.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0828 0.2566 -0.6575 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3740 0.5651 -0.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6592 0.0653 -0.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8689 -1.3200 -0.4682 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7767 0.8959 -0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6583 2.2570 -0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8035 3.0833 -0.4806 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4053 2.7795 -0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2570 1.9610 -0.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0382 2.5605 -0.6641 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6097 3.3028 -2.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3876 1.7874 -3.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0854 3.0526 -3.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3011 1.2825 -0.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1207 2.6490 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6298 0.0299 -2.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4156 0.0571 -1.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3074 2.7168 -0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 2.4235 -0.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6043 2.2896 1.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5392 0.2505 2.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2964 -0.9236 0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0854 -1.4116 1.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1130 -3.1021 0.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8102 -3.2404 0.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8021 -0.2309 1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -1.0082 0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2044 -1.8027 3.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2474 -2.0423 3.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3164 -0.7555 1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0781 -0.9489 0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5042 -3.4975 0.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8622 -3.0959 1.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5499 -2.5184 -1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5738 -3.6840 -0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9181 -2.0531 -1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0198 -2.0045 0.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8057 -1.6917 -0.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7457 0.4265 -0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2062 3.4183 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2423 3.8538 -0.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1111 2.3591 -0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 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 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 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 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 20 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 4 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 46 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 28 60 1 0 0 0 0 M END > NP0014300 > NP-MRD > [H]OC1=C([H])C(O[H])=C(C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(O[H])=C1[H] > InChI=1S/C24H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)24-22(27)18-20(25)19-23(24)28/h3-4,6-7,9-10,12-13,18-19,25,27-28H,2,5,8,11,14-17H2,1H3/b4-3-,7-6-,10-9-,13-12- > JPYHHZQJCSQRJY-LTKCOYKYSA-N > C24H32O4 > 384.516 > 384.23005951 > 4 > 60 > 45.34021402008371 > 0 > 3 > 0 > 0 > (6Z,9Z,12Z,15Z)-1-(2,4,6-trihydroxyphenyl)octadeca-6,9,12,15-tetraen-1-one > 6.54 > 7.8415765649999996 > -4.86 > 0 > 1 > 0 > 9.680069656299498 > 7.972187106529962 > -4.608254156990456 > 77.76 > 120.51179999999998 > 13 > 0 > 5.34e-03 g/l > (6Z,9Z,12Z,15Z)-1-(2,4,6-trihydroxyphenyl)octadeca-6,9,12,15-tetraen-1-one > 0 > NP0014300 > 1-(2,4,6-Trihydroxyphenyl)-6Z,9Z,12Z,15Z-octadecatetraen-1- one $$$$