CE(16:0) Mrv1652303202019292D 49 52 0 0 0 0 999 V2000 9999.976010001.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9997.8390 9999.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9995.6977 9997.9036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9998.5515 9998.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9999.2638 9999.9734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9999.9760 9998.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9998.5515 9997.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9999.2660 9998.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9997.1252 9999.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9996.4108 9999.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9996.4108 9998.3202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9997.1252 9997.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9997.8397 9998.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9997.8397 9999.1453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9999.264010000.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9998.549710000.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9998.5497 9999.5655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9999.2640 9999.1530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10000.722710000.6611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10000.009610001.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10003.583910000.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10004.297410001.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10003.584010001.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10002.868010001.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10002.152510001.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10001.438910001.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10000.723210001.4861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10001.578210000.7745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10001.2482 9999.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10000.7632 9999.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9999.9787 9999.5655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9999.978710000.3905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9994.9812 9998.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9994.9812 9999.0839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9994.2671 9997.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9993.5529 9998.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9992.8388 9997.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9992.1247 9998.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9991.4106 9997.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9990.6965 9998.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9989.9824 9997.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9989.2682 9998.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9988.5541 9997.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9987.8400 9998.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9987.1259 9997.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9986.4118 9998.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9985.6977 9997.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9984.9835 9998.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9984.2694 9997.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 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 13 7 2 0 0 0 0 14 2 1 1 0 0 0 8 18 1 0 0 0 0 17 4 1 6 0 0 0 18 5 1 1 0 0 0 17 14 1 0 0 0 0 19 28 1 6 0 0 0 19 29 1 0 0 0 0 19 32 1 0 0 0 0 27 19 1 0 0 0 0 23 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 20 1 6 0 0 0 27 26 1 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 15 32 1 0 0 0 0 18 31 1 0 0 0 0 31 6 1 6 0 0 0 32 1 1 1 0 0 0 11 3 1 1 0 0 0 3 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 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 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 M END > FDB022299 > foodb > [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCC)[C@H](C)CCCC(C)C > InChI=1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1 > BBJQPKLGPMQWBU-JADYGXMDSA-N > C43H76O2 > 625.0623 > 624.584531676 > 1 > 121 > 85.25336577253194 > 0 > 0 > 0 > 0 > (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl hexadecanoate > 10.57 > 14.033942933 > -7.96 > 1 > 4 > 0 > -7.0421985486871135 > 26.3 > 194.2079 > 21 > 0 > 6.89e-06 g/l > (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl hexadecanoate > 0 > FDB022299 > CE(16:0) $$$$