LMST01120045 LIPID_MAPS_STRUCTURE_DATABASE 41 46 0 0 0 999 V2000 12.7864 -11.7149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4245 -13.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5363 -14.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0155 -13.0598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0791 -11.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8450 -12.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6640 -13.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7172 -13.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9568 -12.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1379 -11.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3774 -11.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3812 -11.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8365 -7.9435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9608 -4.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6811 -6.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3710 -5.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3676 -5.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0576 -6.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2638 -10.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1314 -9.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9882 -7.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3697 -9.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0004 -10.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8694 -7.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7384 -9.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7383 -8.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8694 -8.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0004 -9.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0004 -8.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1313 -8.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2623 -8.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2624 -11.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1314 -11.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1314 -10.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2624 -9.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6555 -10.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6555 -11.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5244 -11.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3933 -11.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3933 -10.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5244 -9.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10 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 10 1 0 0 0 10 11 1 6 0 0 6 1 1 1 0 0 7 2 1 6 0 0 8 3 1 6 0 0 9 4 1 1 0 0 37 1 1 1 0 0 39 12 1 1 0 0 27 13 1 6 0 0 28 25 1 0 0 0 16 14 2 0 0 0 15 24 2 0 0 0 16 15 1 0 0 0 17 16 1 0 0 0 18 17 1 0 0 0 24 18 1 0 0 0 35 19 1 6 0 0 34 20 1 1 0 0 29 21 1 1 0 0 40 22 1 1 0 0 28 23 1 1 0 0 27 24 1 0 0 0 26 25 1 0 0 0 27 26 1 0 0 0 29 27 1 0 0 0 28 34 1 0 0 0 29 28 1 0 0 0 30 29 1 0 0 0 31 30 1 0 0 0 35 31 1 0 0 0 32 39 1 0 0 0 33 32 1 0 0 0 34 33 1 0 0 0 35 34 1 0 0 0 40 35 1 0 0 0 36 41 1 0 0 0 37 36 1 0 0 0 38 37 1 0 0 0 39 38 1 0 0 0 40 39 1 0 0 0 41 40 1 0 0 0 M END > LMST01120045 > Antiaroside I > 3beta-O-(alpha-l-rhamnosyl)-5beta,14beta-dihydroxy-19-carboxy-card-20(22)-enolide > C29H44O9 > 536.30 > Sterol Lipids [ST] > Sterols [ST01] > Cardanolides and derivatives [ST0112] > - > PERIPLORHAMNOSIDE > RAWRNCRYFFPACC-WMURZVBCSA-N > InChI=1S/C29H44O9/c1-15-22(31)23(32)24(33)25(37-15)38-17-4-8-26(2)19-5-9-27(3)18(16-12-21(30)36-14-16)7-11-29(27,35)20(19)6-10-28(26,34)13-17/h12,15,17-20,22-25,31-35H,4-11,13-14H2,1-3H3/t15-,17-,18+,19-,20+,22-,23+,24+,25-,26+,27+,28-,29-/m0/s1 > O([C@@H]1C[C@@]2([C@](CC1)([C@@]1([C@@](CC2)([C@@]2([C@](CC1)([C@](CC2)(C1COC(C=1)=O)[H])C)O)[H])[H])C)O)[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1 > - > - > - > - > - > - > 12304978 > - > - > - > - > - > 241857 > 20553004 $$$$