Mrv0541 02241201202D 66 67 0 0 1 0 999 V2000 10.7930 -13.4941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7930 -14.3191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5075 -14.7316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2220 -14.3191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2220 -13.4941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5075 -13.0816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9364 -13.0816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6509 -12.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3654 -13.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3654 -13.9066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0799 -14.3191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7944 -13.9066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7944 -13.0816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0799 -12.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5088 -12.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5088 -11.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2233 -11.4316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2233 -10.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9378 -11.8441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9378 -10.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6522 -10.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6522 -11.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9378 -12.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2233 -13.0816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8952 -14.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5075 -15.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0786 -14.7316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0786 -13.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3640 -13.4941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7059 -14.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5088 -14.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0799 -15.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3667 -10.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0812 -10.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7957 -10.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5102 -10.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2246 -10.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9391 -10.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6536 -10.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3681 -10.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0825 -10.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7971 -10.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5115 -10.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2260 -10.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9405 -10.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6549 -10.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3694 -10.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0839 -10.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7984 -10.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6549 -13.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9405 -12.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2260 -13.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5115 -12.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7970 -13.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0825 -12.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3681 -13.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6536 -12.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9391 -13.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2246 -12.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5102 -13.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7957 -12.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0812 -13.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3667 -12.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6522 -13.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3694 -12.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0839 -13.0816 0.0000 C 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 9 10 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 14 9 1 0 0 0 0 13 15 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 19 23 1 0 0 0 0 23 24 2 0 0 0 0 4 25 1 6 0 0 0 3 26 1 1 0 0 0 2 27 1 6 0 0 0 1 28 1 1 0 0 0 28 29 1 0 0 0 0 10 30 1 6 0 0 0 12 31 1 6 0 0 0 11 32 1 1 0 0 0 33 21 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 38 37 1 0 0 0 0 39 38 1 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 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 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 1 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 1 0 0 0 0 23 64 1 0 0 0 0 65 50 1 0 0 0 0 66 65 1 0 0 0 0 M END > CHEM039967 > chemdb > CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1OC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC > InChI=1S/C51H96O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h39-41,44-52,55-60H,3-38H2,1-2H3/t39-,40-,41?,44-,45-,46+,47+,48-,49-,50-,51-/m1/s1 > LDQFLSUQYHBXSX-HPPMYKKZSA-N > C51H96O15 > 949.2989 > 948.674922402 > 13 > 115.73050726269595 > 0 > 7 > 0 > 0 > (2S)-1-(octadecanoyloxy)-3-{[(2R,3R,4S,5S)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl octadecanoate > 7.09 > 10.239697150666668 > -5.66 > 0 > 2 > 0 > 12.432924895860126 > 11.910700359940154 > -2.981083422322401 > 231.12999999999997 > 250.92950000000002 > 44 > 0 > 2.08e-03 g/l > (2S)-1-(octadecanoyloxy)-3-{[(2R,3R,4S,5S)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl octadecanoate > 0 > 1,2-Dioctadecanoyl-3-(galactosyl-beta-1->6-galactosyl-beta-1)-glycerol $$$$