LMST01130036 LIPID_MAPS_STRUCTURE_DATABASE 45 50 0 0 0 999 V2000 7.9136 8.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0275 7.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0275 6.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9136 6.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7995 6.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6858 6.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5720 6.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5720 7.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6858 8.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7995 7.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6858 9.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5720 9.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 9.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 8.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2304 8.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2304 9.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3443 9.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 10.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7995 8.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3443 10.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9181 10.2028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3936 6.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5720 8.6947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6664 7.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 7.5427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7995 6.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1080 11.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1080 12.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3443 12.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5807 12.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5807 11.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3443 13.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2275 4.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9235 4.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7907 6.4655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6725 7.4459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8224 8.2544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2442 6.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6612 5.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5063 5.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9401 6.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5231 7.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9568 8.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0964 9.8597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9335 9.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 20 1 0 0 0 1 10 1 0 0 0 5 10 1 0 0 0 9 10 1 0 0 0 8 14 1 0 0 0 13 17 1 0 0 0 13 18 1 1 0 0 10 19 1 1 0 0 17 21 1 6 0 0 3 22 1 1 0 0 8 23 1 1 0 0 9 24 1 6 0 0 14 25 1 1 0 0 5 26 1 6 0 0 20 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 20 2 0 0 0 29 32 2 0 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 1 0 0 38 22 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 16 44 1 1 0 0 19 45 2 0 0 0 M END > LMST01130036 > > 3-O-(beta-D-glucopyranosyl)-3beta,14beta,16beta-trihydroxy-19-oxo-5alpha-bufa-20,22-dienolide > C30H42O11 > 578.27 > Sterol Lipids [ST] > Sterols [ST01] > Bufanolides and derivatives [ST0113] > - > > - > - > - > - > - > - > - > - > - > 171119029 > - > - > Active > - > https://dev.lipidmaps.org/databases/lmsd/LMST01130036 $$$$