134812453 CDK 1203211124 56 56 0 0 0 0 0 0 0 0999 V2000 4.2365 -3.4280 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -3.8405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -4.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -4.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -6.3155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -6.3155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -7.1405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -3.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 -2.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6490 -4.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 -0.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 -1.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 -0.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 -3.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9524 3.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6668 6.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 6.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -4.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 -5.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -5.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 -5.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -5.9030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5220 -6.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 -1.7779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3799 -2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 1.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 0.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 1.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 2.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 3.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9524 -1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6668 -2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 -2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3814 -1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 -1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 3.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0958 -2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 -2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9538 0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6682 0.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9538 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6682 1.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8103 -1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2393 -0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3827 1.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 4.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5248 -2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2393 -1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3827 2.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 5.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0973 3.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9524 5.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9524 6.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 4 20 1 0 0 0 0 5 21 1 0 0 0 0 22 6 1 1 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 25 11 1 6 0 0 0 11 31 1 0 0 0 0 12 26 1 0 0 0 0 12 41 1 0 0 0 0 13 31 2 0 0 0 0 14 41 2 0 0 0 0 15 49 1 0 0 0 0 16 56 1 0 0 0 0 17 56 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 33 39 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 40 1 0 0 0 0 38 41 1 0 0 0 0 39 49 1 0 0 0 0 40 46 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 44 47 1 0 0 0 0 45 48 1 0 0 0 0 46 50 1 0 0 0 0 47 51 1 0 0 0 0 48 52 1 0 0 0 0 49 53 1 0 0 0 0 50 51 2 0 0 0 0 52 54 1 0 0 0 0 53 55 2 0 0 0 0 55 56 1 0 0 0 0 M END > CHEBI:187749 > OHDdiA-PI > 2 > (E)-4-hydroxy-12-[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-12-oxododec-2-enoic acid > C39H69O16P > 824.939 > 824.43232 > 0 > P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCCCCCCC(O)/C=C/C(O)=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)=O > InChI=1S/C39H69O16P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-32(43)52-27-30(54-33(44)24-21-18-15-16-19-22-29(40)25-26-31(41)42)28-53-56(50,51)55-39-37(48)35(46)34(45)36(47)38(39)49/h9-10,25-26,29-30,34-40,45-49H,2-8,11-24,27-28H2,1H3,(H,41,42)(H,50,51)/b10-9-,26-25+/t29?,30-,34?,35-,36?,37?,38?,39?/m1/s1 > VXYKEFQDLPPXOJ-ILYWIYQCSA-N > LMGP20050036 $$$$