CDK 1030232201 60 60 0 0 0 0 0 0 0 0999 V2000 13.5749 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1460 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7183 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5776 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8644 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5788 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2933 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0078 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7222 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4367 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 5 3 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 2 3 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 15 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 23 28 2 0 0 0 0 24 29 2 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 32 1 0 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 31 35 2 0 0 0 0 33 36 1 0 0 0 0 34 37 1 0 0 0 0 36 38 2 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 2 0 0 0 0 39 42 1 0 0 0 0 40 43 1 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 44 46 1 0 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 28 30 1 0 0 0 0 M END > CHEBI:213516 > Hericene F > 2 > [8-[3-ormyl-4-(hexadecanoyloxymethyl)-2-hydroxy-6-methoxyphenyl]-2,6-dimethylocta-2,6-dien-4-yl] (9Z,12Z)-octadeca-9,12-dienoate > C53H86O7 > 835.264 > 834.63736 > 0 > O=C(O[C@H](C=C(C)C)CC(=CCC1=C(O)C(=C(COC(=O)CCCCCCCCCCCCCCC)C=C1OC)C=O)C)CCCCCCC/C=C\C/C=C\CCCCC > InChI=1S/C53H86O7/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-52(56)60-47(39-44(3)4)40-45(5)37-38-48-50(58-6)41-46(49(42-54)53(48)57)43-59-51(55)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2/h15,17,21-22,37,39,41-42,47,57H,7-14,16,18-20,23-36,38,40,43H2,1-6H3/b17-15-,22-21-,45-37?/t47-/m1/s1 > DSZFRZWILYEFJU-KOPNGTSNSA-N $$$$