LMST01010183 LIPID_MAPS_STRUCTURE_DATABASE 39 42 0 0 0 0 0 0 0 0999 V2000 9.1215 7.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4032 7.6570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1075 6.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6919 7.2421 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3962 8.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4102 6.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1180 8.9087 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 6.9805 7.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 8.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3962 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9805 6.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2797 7.2421 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 6.0076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3962 6.8237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 5.5892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6449 7.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1318 8.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8662 8.4973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8662 9.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8627 7.6640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8627 6.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3591 9.2770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6504 8.7486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0769 9.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7900 9.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6504 9.5721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9373 9.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3636 9.9839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2164 9.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5032 8.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5032 9.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2164 9.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3636 10.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7901 10.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2900 10.4237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0769 11.2192 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.0769 12.0427 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 28 1 0 0 0 0 28 30 1 0 0 0 0 30 26 1 0 0 0 0 26 27 1 0 0 0 0 27 33 1 0 0 0 0 28 29 1 6 0 0 0 30 35 1 6 0 0 0 33 31 1 0 0 0 0 33 32 1 0 0 0 0 33 34 1 0 0 0 0 35 38 1 0 0 0 0 38 36 1 0 0 0 0 38 37 1 0 0 0 0 38 39 2 0 0 0 0 M END > LMST01010183 > 2-deoxyecdysone 22-phosphate > (22R)-3beta,14,25-trihydroxy-6-oxo-5beta-cholest-7-en-22-yl dihydrogen phosphate > C27H45O8P > 528.29 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > 2-Deoxyecdysone-22-phosphate > AOKIBCRWTSJHIE-XNSSJAPWSA-N > InChI=1S/C27H45O8P/c1-16(23(35-36(32,33)34)9-10-24(2,3)30)18-8-13-27(31)20-15-22(29)21-14-17(28)6-11-25(21,4)19(20)7-12-26(18,27)5/h15-19,21,23,28,30-31H,6-14H2,1-5H3,(H2,32,33,34)/t16-,17-,18+,19-,21-,23+,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@H](C)[C@H](OP(=O)(O)O)CCC(O)(C)C)[H])=O > - > - > 19567 > - > - > - > 21121820 > - > - > - > - > - > 7010 > 6684423 $$$$