LMST01010181 LIPID_MAPS_STRUCTURE_DATABASE 40 43 0 0 0 0 0 0 0 0999 V2000 9.1216 7.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4033 7.6571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1077 6.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6919 7.2422 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3963 8.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4103 6.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1181 8.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6919 6.4192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9806 7.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6850 8.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3963 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9806 6.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2797 7.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2797 6.4192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5544 6.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3963 6.8237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6850 5.5892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6451 7.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1320 8.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8664 8.4974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8664 9.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8629 7.6641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8629 6.8405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3593 9.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6506 8.7487 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0771 9.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7903 9.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9375 9.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3639 9.9841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2168 9.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5035 8.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5035 9.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2168 9.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6506 9.5723 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6506 10.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3639 10.8076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7904 10.8076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2903 10.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0771 11.2194 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.0771 12.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 16 1 6 0 0 0 3 6 1 0 0 0 0 20 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 1 0 0 0 5 7 1 0 0 0 0 6 11 2 0 0 0 0 6 8 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 1 0 0 0 9 13 1 0 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 1 0 0 0 25 20 1 0 0 0 0 20 22 1 0 0 0 0 22 18 1 0 0 0 0 25 19 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 1 0 0 0 22 23 1 6 0 0 0 25 24 1 6 0 0 0 25 34 1 0 0 0 0 34 29 1 0 0 0 0 29 26 1 0 0 0 0 26 27 1 0 0 0 0 27 32 1 0 0 0 0 34 28 1 6 0 0 0 29 36 1 6 0 0 0 32 30 1 0 0 0 0 32 31 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 1 0 0 0 36 39 1 0 0 0 0 39 37 1 0 0 0 0 39 38 1 0 0 0 0 39 40 2 0 0 0 0 M END > LMST01010181 > 2-deoxy-20-hydroxyecdysone 22-phosphate > (22R)-3beta,14,20,25-tetrahydroxy-6-oxo-5beta-cholest-7-en-22-yl dihydrogen phosphate > C27H45O9P > 544.28 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > 2-Deoxy-20-hydroxyecdysone-22-phosphate; 2-Dhe-22-P > ZZFVYSIMDVDSAY-GLPVALQZSA-N > InChI=1S/C27H45O9P/c1-23(2,30)10-9-22(36-37(33,34)35)26(5,31)21-8-13-27(32)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15-17,19,21-22,28,30-32H,6-14H2,1-5H3,(H2,33,34,35)/t16-,17-,19-,21-,22+,24+,25+,26+,27+/m0/s1 > C12=CC([C@]3([H])C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2(O)CC[C@@]1([C@](O)(C)[C@H](OP(=O)(O)O)CCC(O)(C)C)[H])=O > - > - > 19549 > - > - > - > 21122088 > - > - > - > - > - > 7010 > 6684423 $$$$