LMPR0106080009 LIPID_MAPS_STRUCTURE_DATABASE 78 85 0 0 0 999 V2000 7.5879 8.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5879 7.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5023 6.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4166 7.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4166 8.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5023 9.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3311 6.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2457 7.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2457 8.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3311 9.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1599 9.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1599 10.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2457 10.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3311 10.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1642 8.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7849 9.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1642 10.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1642 11.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0786 12.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9929 11.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9074 12.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8218 11.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7364 12.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8218 10.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2498 12.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9349 6.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9979 6.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1599 8.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1599 10.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2457 9.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0221 10.6534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7344 6.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4166 6.8431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3311 7.9854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6879 10.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9013 14.9740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5495 16.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3527 15.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7902 13.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2220 13.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8830 13.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8029 14.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6297 15.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5314 14.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5132 13.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4368 5.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4674 5.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 7.6003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7519 7.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1030 6.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1162 6.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7826 7.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4312 8.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1059 3.7488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2196 3.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2999 4.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7619 6.0309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 5.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3461 4.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 4.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6406 4.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8215 5.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4058 4.9943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0772 3.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7805 1.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1235 3.6503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7730 4.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7574 4.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0927 3.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4443 2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4599 2.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8114 1.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4140 8.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6116 13.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1642 12.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0276 12.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4167 9.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5536 10.0087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 18 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 11 28 1 6 0 0 0 12 29 1 1 0 0 0 9 30 1 1 0 0 0 17 31 1 6 0 0 0 2 32 1 1 0 0 0 4 33 1 6 0 0 0 10 34 1 6 0 0 0 22 35 1 0 0 0 40 45 1 0 0 0 39 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 42 36 1 6 0 0 43 37 1 1 0 0 44 38 1 6 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 49 32 1 1 0 0 50 46 1 6 0 0 51 47 1 1 0 0 52 48 1 1 0 0 62 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 58 47 1 1 0 0 59 54 1 6 0 0 60 55 1 1 0 0 61 56 1 6 0 0 71 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 1 0 0 0 71 72 1 6 0 0 67 46 1 1 0 0 68 63 1 6 0 0 69 64 1 6 0 0 70 65 1 1 0 0 73 49 1 0 0 0 53 73 1 0 0 0 74 39 1 0 0 0 74 45 1 1 0 0 44 74 1 0 0 0 18 75 1 6 0 0 75 76 1 0 0 0 41 76 1 1 0 0 5 77 1 1 0 0 77 78 2 0 0 0 M END > LMPR0106080009 > Gypenoside S4 > 19-oxo-3beta,20S,21,25-tetrahydroxy-23-ene-3-O-{[alpha-l-rhamnopyranosyl(1-2)]-[beta-d-xylopyranosyl(1-3)]-alpha-l-arabinopyranosyl}-21-O-beta-d-glucopyranoside > C52H86O22 > 1062.56 > Prenol Lipids [PR] > Isoprenoids [PR01] > C30 isoprenoids (triterpenes) [PR0106] > Dammarane triterpenoids [PR010608] > > LLSSHCNHLOBXSV-SGYFHSMVSA-N > InChI=1S/C52H86O22/c1-24-33(57)36(60)40(64)45(70-24)74-42-41(73-43-38(62)34(58)27(55)20-67-43)28(56)21-68-46(42)72-32-13-18-51(22-54)30(48(32,4)5)12-17-50(7)31(51)10-9-25-26(11-16-49(25,50)6)52(66,15-8-14-47(2,3)65)23-69-44-39(63)37(61)35(59)29(19-53)71-44/h8,14,22,24-46,53,55-66H,9-13,15-21,23H2,1-7H3/b14-8+/t24-,25+,26-,27+,28-,29+,30-,31-,32-,33-,34-,35+,36+,37-,38+,39+,40+,41-,42+,43-,44+,45-,46-,49+,50+,51+,52+/m0/s1 > C1C[C@]2(C=O)[C@@]3([H])CC[C@]4([H])[C@@]([H])([C@@](CO[C@H]5[C@H](O)[C@@H](O)[C@@H]([C@@H](CO)O5)O)(O)C/C=C/C(O)(C)C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)CO2)[C@H]1O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1 > - > - > - > - > - > - > 171120317 > - > - > - > - > - > 182084 > 33213892 $$$$