LMPR0106080006 LIPID_MAPS_STRUCTURE_DATABASE 81 88 0 0 0 999 V2000 7.6099 8.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6099 7.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5270 6.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4440 7.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4440 8.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5270 9.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3611 6.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2783 7.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2783 8.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3611 9.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1952 9.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1952 10.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2783 10.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3611 10.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2024 8.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8250 9.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2024 10.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2024 11.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1195 12.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0365 11.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9536 12.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8706 11.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7878 12.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8706 10.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2854 12.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9580 6.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 6.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4440 9.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1952 8.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1952 10.8516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2783 9.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0628 10.6844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7539 6.9004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4440 6.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3611 8.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2783 11.5131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7393 11.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7393 10.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2864 14.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1123 15.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7437 14.6520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8287 12.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3777 13.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0075 13.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1020 14.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0178 14.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8334 14.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5546 12.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4525 5.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4775 5.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 7.6224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7685 7.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1179 6.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1281 6.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 7.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4441 8.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1149 3.7596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2231 3.0863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3008 4.3867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7670 6.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8082 5.8610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5343 5.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3529 4.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 4.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6425 4.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8238 5.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0619 6.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4273 5.0088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1006 3.1170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8002 1.5932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1384 3.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7897 4.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7770 4.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1133 3.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4630 2.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4757 2.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8254 1.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4296 8.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7389 13.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2024 12.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0685 13.0128 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 5 28 1 1 0 0 0 11 29 1 6 0 0 0 12 30 1 1 0 0 0 9 31 1 1 0 0 0 17 32 1 6 0 0 0 2 33 1 1 0 0 0 4 34 1 6 0 0 0 10 35 1 6 0 0 0 13 36 2 0 0 0 0 22 37 1 0 0 0 37 38 1 0 0 0 43 48 1 0 0 0 42 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 45 39 1 6 0 0 46 40 1 1 0 0 47 41 1 6 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 52 33 1 1 0 0 53 49 1 6 0 0 54 50 1 1 0 0 55 51 1 1 0 0 61 67 1 0 0 0 66 60 1 0 0 0 60 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 1 0 0 62 50 1 1 0 0 63 57 1 6 0 0 64 58 1 1 0 0 65 59 1 6 0 0 76 71 1 0 0 0 71 72 1 0 0 0 72 73 1 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 6 0 0 72 49 1 1 0 0 73 68 1 6 0 0 74 69 1 6 0 0 75 70 1 1 0 0 78 52 1 0 0 0 56 78 1 0 0 0 79 42 1 0 0 0 79 48 1 1 0 0 47 79 1 0 0 0 18 80 1 6 0 0 80 81 1 0 0 0 44 81 1 1 0 0 M END > LMPR0106080006 > Gypenoside S1 > 3beta,20S,21-trihydroxy-25-methoxydammar-23-ene-12-one-3-O-{[alpha-l-rhamnopyranosyl(1-2)]-[beta-d-glucopyranosyl-(1-3)]-alpha-l-arabinopyranosyl}-21-O-beta-d-glucopyranoside > C54H90O23 > 1106.59 > Prenol Lipids [PR] > Isoprenoids [PR01] > C30 isoprenoids (triterpenes) [PR0106] > Dammarane triterpenoids [PR010608] > > UPLYNZHDTIAKBL-BHRUDVGTSA-N > InChI=1S/C54H90O23/c1-24-34(59)37(62)41(66)46(72-24)77-44-43(76-47-42(67)39(64)36(61)29(21-56)74-47)27(58)22-70-48(44)75-32-13-16-51(6)30(50(32,4)5)12-18-52(7)31(51)19-26(57)33-25(11-17-53(33,52)8)54(68,15-10-14-49(2,3)69-9)23-71-45-40(65)38(63)35(60)28(20-55)73-45/h10,14,24-25,27-48,55-56,58-68H,11-13,15-23H2,1-9H3/b14-10+/t24-,25-,27-,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40+,41+,42+,43-,44+,45+,46-,47-,48-,51-,52+,53+,54+/m0/s1 > C1C[C@]2(C)[C@@]3([H])CC(=O)[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(OC)(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)[C@@H](CO)O2)[C@H]1O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1 > - > - > - > - > - > - > 171120314 > - > - > - > - > - > 182084 > 33213892 $$$$