LMST01130047 LIPID_MAPS_STRUCTURE_DATABASE 43 47 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 10.1967 5.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1967 4.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0627 6.3606 0.0000 C 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 22 41 1 0 0 0 41 42 2 0 0 0 41 43 1 0 0 0 M END > LMST01130047 > 2beta-acetoxy-3,5-di-O-acetylhellebrigenin > 2beta,3beta,5beta-triacetoxy-14beta-hydroxy-19-oxo-bufa-20,22-dienolide > C30H38O10 > 558.25 > Sterol Lipids [ST] > Sterols [ST01] > Bufanolides and derivatives [ST0113] > - > > DVNCUYADCHDELL-IXMRLRNZSA-N > InChI=1S/C30H38O10/c1-17(32)38-24-13-28(16-31)22-7-10-27(4)21(20-5-6-26(35)37-15-20)9-12-30(27,36)23(22)8-11-29(28,40-19(3)34)14-25(24)39-18(2)33/h5-6,15-16,21-25,36H,7-14H2,1-4H3/t21-,22+,23-,24+,25-,27-,28+,29+,30+/m1/s1 > C1[C@@]2(C=O)[C@](OC(C)=O)(CC[C@]3([H])[C@]2([H])CC[C@]2(C)[C@@]([H])(C4C=CC(=O)OC=4)CC[C@]32O)C[C@@H](OC(C)=O)[C@H]1OC(C)=O > - > - > - > ST 30:8;O10 > - > - > 162661590 > - > - > - > - > - > 85230 > 32663024 $$$$