Mrv0541 02241201462D 64 65 0 0 1 0 999 V2000 9.0591 -17.2572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0808 -16.4432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3318 -17.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7482 -17.6859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7862 -16.0524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3697 -16.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6318 -18.0496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4755 -17.2897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7265 -18.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4973 -16.4758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6697 -16.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9207 -17.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6045 -18.8744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1756 -17.7240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2190 -16.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2044 -18.0170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8828 -19.2599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2015 -19.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9354 -16.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1881 -18.8419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5042 -17.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8611 -20.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6463 -16.0741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4501 -19.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -18.0170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3734 -16.4811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1613 -15.4261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0898 -16.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9468 -17.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8062 -16.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5171 -16.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2389 -16.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9553 -16.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6717 -16.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3881 -16.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1099 -16.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8208 -15.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5426 -16.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2534 -15.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9807 -16.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6916 -15.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4135 -16.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1244 -15.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1099 -15.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8385 -17.0993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.0219 -15.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3074 -15.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5929 -15.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8784 -15.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1640 -15.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4494 -15.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7350 -15.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0205 -15.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3060 -15.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5916 -15.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8771 -15.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1626 -15.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4481 -15.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7336 -15.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0192 -15.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3047 -15.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5902 -15.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8758 -15.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8758 -14.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 6 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 1 0 0 0 7 3 1 1 0 0 0 4 8 1 0 0 0 0 4 9 1 1 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 6 0 0 0 10 15 1 1 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 6 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 1 0 0 0 17 22 1 1 0 0 0 19 23 1 0 0 0 0 20 24 1 1 0 0 0 21 25 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 6 0 0 0 26 28 1 0 0 0 0 26 29 1 1 0 0 0 28 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 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 8 10 1 0 0 0 0 17 20 1 0 0 0 0 23 44 1 1 0 0 0 26 45 1 6 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 53 52 1 0 0 0 0 54 53 1 0 0 0 0 55 54 2 0 0 0 0 56 55 1 0 0 0 0 57 56 1 0 0 0 0 58 57 1 0 0 0 0 59 58 1 0 0 0 0 60 59 1 0 0 0 0 61 60 1 0 0 0 0 62 61 1 0 0 0 0 63 62 1 0 0 0 0 64 63 2 0 0 0 0 27 63 1 0 0 0 0 M END > BMDB0011592 > bmdb > [H][C@@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(NC(=O)CCCCCCC\C=C/CCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC > InChI=1S/C48H89NO13/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(53)49-36(37(52)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-59-47-45(58)43(56)46(39(34-51)61-47)62-48-44(57)42(55)41(54)38(33-50)60-48/h17-18,29,31,36-39,41-48,50-52,54-58H,3-16,19-28,30,32-35H2,1-2H3,(H,49,53)/b18-17-,31-29+/t36-,37+,38+,39+,41-,42-,43+,44+,45+,46+,47+,48-/m0/s1 > YVBUQOZKCCPFCZ-HSVHIEHGSA-N > C48H89NO13 > 888.2192 > 887.633391939 > 13 > 105.81856458169052 > 0 > 9 > 0 > 0 > (9Z)-N-[(2S,3R,4E)-1-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide > 6.24 > 7.850899525666665 > -5.19 > 0 > 2 > 0 > 12.443259959459798 > 11.920661151376102 > -2.9813779338405872 > 227.85999999999999 > 240.92090000000002 > 37 > 0 > 5.70e-03 g/l > (9Z)-N-[(2S,3R,4E)-1-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide > 0 > BMDB0011592 > Lactosyceramide (d18:1/18:1(9Z)) $$$$