ChEBI Marvin 05010915282D 49 52 0 0 1 0 999 V2000 6.9787 -8.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2548 -8.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2548 -9.4530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9787 -9.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6841 -9.4530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3987 -9.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1226 -9.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1226 -8.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3987 -8.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6841 -8.6193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3987 -7.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1226 -6.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8280 -7.4100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8280 -8.2255 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6160 -8.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0833 -7.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6160 -7.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8280 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6841 -7.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6160 -6.3105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3398 -5.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0453 -6.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7600 -5.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4746 -6.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4746 -7.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1802 -5.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7416 -5.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8280 -9.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3306 -6.7504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5889 -9.7924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6841 -10.2781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9016 -5.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5889 -10.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3008 -11.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8719 -11.0257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2956 -11.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0075 -12.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0023 -13.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7142 -13.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7091 -14.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4209 -14.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4158 -15.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1277 -16.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8446 -15.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5565 -16.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2735 -15.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9854 -16.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7024 -15.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4143 -16.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14 13 1 0 0 0 0 17 13 1 0 0 0 0 12 13 1 0 0 0 0 13 18 1 1 0 0 0 8 14 1 0 0 0 0 15 14 1 0 0 0 0 14 28 1 6 0 0 0 9 11 1 0 0 0 0 9 10 1 0 0 0 0 9 8 2 0 0 0 0 7 8 1 0 0 0 0 10 5 1 0 0 0 0 10 19 1 1 0 0 0 10 1 1 0 0 0 0 16 17 1 0 0 0 0 20 17 1 0 0 0 0 17 29 1 6 0 0 0 11 12 1 0 0 0 0 16 15 1 0 0 0 0 6 7 1 0 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 21 20 1 0 0 0 0 2 1 1 0 0 0 0 21 22 1 0 0 0 0 23 22 1 0 0 0 0 3 4 1 0 0 0 0 24 23 1 0 0 0 0 27 23 2 0 0 0 0 3 2 1 0 0 0 0 25 24 1 0 0 0 0 26 24 1 0 0 0 0 3 30 1 1 0 0 0 5 31 1 6 0 0 0 20 32 1 6 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 34 36 1 0 0 0 0 33 35 2 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 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 M END > CHEBI:52380 > fecosteryl palmitoleate > 3 > 5alpha-ergosta-8,24(28)-dien-3beta-yl (9Z)-hexadec-9-enoate > C44H74O2 > 635.05720 > 634.56888 > 0 > [H][C@@]12CCC3=C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC(=C)C(C)C)[C@@]1(C)CC[C@@H](C2)OC(=O)CCCCCCC\C=C/CCCCCC > InChI=1S/C44H74O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-42(45)46-37-28-30-43(6)36(32-37)24-25-38-40-27-26-39(44(40,7)31-29-41(38)43)35(5)23-22-34(4)33(2)3/h13-14,33,35-37,39-40H,4,8-12,15-32H2,1-3,5-7H3/b14-13-/t35-,36+,37+,39-,40+,43+,44-/m1/s1 > VXMWPGVHCCYQEO-JKUHGSQXSA-N $$$$