LMST01130081 LIPID_MAPS_STRUCTURE_DATABASE 42 47 0 0 0 999 V2000 6.7326 6.7771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1948 11.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1948 12.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9989 13.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8032 12.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8032 11.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2662 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0656 7.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1790 7.8724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1326 9.1558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6032 10.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9989 11.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2662 8.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0656 10.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9989 10.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9320 8.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0656 8.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0656 9.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1326 10.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1994 9.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2662 8.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1994 8.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1326 8.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1326 7.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1994 6.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2662 7.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3332 6.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4001 7.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4001 8.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3332 8.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9989 13.8235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7113 5.0608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7097 5.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7256 6.8128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2290 7.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7258 6.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2193 5.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2160 5.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7241 6.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2306 7.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7361 8.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9320 9.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28 1 1 1 0 0 0 4 31 2 0 0 0 0 2 12 2 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 2 0 0 0 0 12 6 1 0 0 0 0 26 7 1 1 0 0 0 17 8 1 1 0 0 0 22 9 1 6 0 0 0 23 10 1 1 0 0 0 15 11 1 6 0 0 0 21 13 1 1 0 0 0 18 14 1 1 0 0 0 18 15 1 0 0 0 0 23 17 1 0 0 0 0 22 21 1 0 0 0 0 26 21 1 0 0 0 0 30 21 1 0 0 0 0 15 12 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 22 20 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 40 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 37 32 1 6 0 0 38 33 1 6 0 0 39 34 1 1 0 0 40 41 1 6 0 0 36 1 1 1 0 0 16 42 1 0 0 0 0 42 15 1 0 0 0 0 M END > LMST01130081 > > 5beta,14beta-dihydroxy-3beta-[(alpha-l-rhamnopyranosyl)oxy]-bufa-20,22-dienolide > C30H44O9 > 548.30 > Sterol Lipids [ST] > Sterols [ST01] > Bufanolides and derivatives [ST0113] > - > > DZXYYNPTDYYNQY-ULASFVDBSA-N > InChI=1S/C30H44O9/c1-16-23(32)24(33)25(34)26(38-16)39-18-6-10-27(2)20-7-11-28(3)19(17-4-5-22(31)37-15-17)9-13-30(28,36)21(20)8-12-29(27,35)14-18/h4-5,15-16,18-21,23-26,32-36H,6-14H2,1-3H3/t16-,18-,19+,20-,21+,23-,24+,25+,26-,27+,28+,29-,30-/m0/s1 > O([C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1)[C@H]1CC[C@]2([C@@](C1)(CC[C@@]1([C@@]2(CC[C@]2([C@@]1(CC[C@@]2(C1C=CC(OC=1)=O)[H])O)C)[H])[H])O)C > - > - > - > - > - > - > 177617717 > - > - > - > - > - > 171896 > 39260588 $$$$