LIPID_MAPS_STRUCTURE_DATABASE 40 44 0 0 0 999 V2000 8.4646 8.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5985 8.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4646 6.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1966 6.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0627 7.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0627 8.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0627 10.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1966 9.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8798 8.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4675 9.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8798 11.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0137 11.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7457 11.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7457 12.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8798 10.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5868 10.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9288 9.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9288 10.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9288 8.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9288 7.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3306 7.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3306 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5985 7.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 6.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3306 8.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3306 9.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4646 9.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1966 8.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1966 7.8607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0137 12.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8798 13.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8798 14.1697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7325 8.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7325 9.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8665 10.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5985 10.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8665 7.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 6.8605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8665 8.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0627 9.3607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 25 1 0 0 0 2 23 1 0 0 0 23 3 1 0 0 0 3 21 1 0 0 0 28 25 1 0 0 0 25 21 1 0 0 0 21 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 19 1 0 0 0 28 6 1 0 0 0 8 28 1 0 0 0 7 8 1 0 0 0 7 17 1 0 0 0 19 9 1 0 0 0 17 19 1 0 0 0 15 17 1 0 0 0 15 10 1 0 0 0 9 10 1 0 0 0 15 11 1 0 0 0 12 11 2 0 0 0 11 13 1 0 0 0 31 30 1 0 0 0 31 14 1 0 0 0 30 12 1 0 0 0 13 14 2 0 0 0 15 16 1 6 0 0 17 18 1 1 0 0 19 20 1 1 0 0 21 22 1 1 0 0 23 24 1 1 0 0 25 26 1 1 0 0 26 27 2 0 0 0 28 29 1 6 0 0 31 32 2 0 0 0 2 33 1 1 0 0 33 34 1 0 0 0 34 35 2 0 0 0 34 36 1 0 0 0 24 37 1 0 0 0 37 38 2 0 0 0 37 39 1 0 0 0 6 40 1 1 0 0 M END > LMST01130046 > 2beta-acetoxy-3-O-acetylhellebrigenin > 2beta,3beta-diacetoxy-14beta-hydroxy-19-oxo-5beta-bufa-20,22-dienolide > C28H36O9 > 516.24 > Sterol Lipids [ST] > Sterols [ST01] > Bufanolides and derivatives [ST0113] > - > > - > - > - > - > - > - > - > - > - > - > - > - > Active > - > https://lipidmaps.org/data/LMSDRecord.php?LMID=LMST01130046 $$$$