LMST01070009 LIPID_MAPS_STRUCTURE_DATABASE 75 83 0 0 0 999 V2000 19.0375 10.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0312 13.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0417 12.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0520 11.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0310 12.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0269 11.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0058 11.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0097 12.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0222 13.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0375 11.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0310 13.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0269 10.5756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0686 10.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0686 9.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0520 9.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0375 9.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0914 11.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1144 10.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1144 9.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0914 9.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0686 11.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0520 10.6647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0222 14.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9177 13.0957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9260 14.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1454 14.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4419 9.3995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4728 7.8241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5961 7.8242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6619 9.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0032 10.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6772 10.9041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4748 9.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0056 8.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0650 8.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5980 9.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0672 10.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6001 11.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8969 7.8280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0943 7.6834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0718 9.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2579 10.1335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7736 9.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3858 8.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4821 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 9.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3587 10.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8475 10.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1774 7.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3282 5.1444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7782 4.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7732 6.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5507 6.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4022 6.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4766 5.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7016 5.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8502 5.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0750 4.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6912 14.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5257 13.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3604 14.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1948 13.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0293 14.4754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3604 15.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0430 16.4040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7202 17.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3787 16.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7000 14.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1045 15.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8653 14.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8722 15.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7134 16.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5426 15.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5358 14.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3650 14.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 1 6 1 0 0 0 5 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 5 6 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 5 1 0 0 0 6 7 1 0 0 0 1 10 1 1 0 0 5 11 1 1 0 0 6 12 1 6 0 0 4 13 1 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 1 1 0 0 0 13 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 14 1 0 0 0 13 21 1 1 0 0 4 22 1 6 0 0 9 23 1 1 0 0 8 24 1 1 0 0 25 24 1 0 0 0 23 26 1 0 0 0 19 27 1 1 0 0 25 23 2 0 0 0 32 38 1 0 0 0 37 31 1 0 0 0 31 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 1 0 0 34 28 1 6 0 0 35 29 1 1 0 0 36 30 1 6 0 0 47 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 6 0 0 0 44 39 1 6 0 0 0 45 40 1 6 0 0 0 46 41 1 1 0 0 0 43 30 1 1 0 0 0 57 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 6 0 0 0 54 49 1 6 0 0 0 55 50 1 6 0 0 0 56 51 1 1 0 0 0 53 28 1 1 0 0 0 33 27 1 1 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 61 64 1 1 0 0 0 69 75 1 0 0 0 0 74 68 1 0 0 0 0 68 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 1 0 0 0 70 63 1 1 0 0 0 71 65 1 6 0 0 0 72 66 1 1 0 0 0 73 67 1 6 0 0 0 25 59 1 0 0 0 0 M END > LMST01070009 > Pseudoprotodioscin > 3-O-(Rhaa1-4(Rhaa1-2)Glcb)-26-O-(Glcb)-(25R)-furosta-5,20(22)-dien-3beta,26-diol > C51H82O21 > 1030.53 > Sterol Lipids [ST] > Sterols [ST01] > Furostanols and derivatives [ST0107] > - > 26-O-beta-D-glucopyranosyl-3beta,26-dihydroxy-25(R)-furosta-5,20(22)-dien-3-O-alpha-L-rhamnopyranosyl(1-2)-[alpha-L-rhamnopyranosyl(1-4)]-beta-D-glucopyranoside > MDCUMTGKKLOMCW-XNVNDPJESA-N > InChI=1S/C51H82O21/c1-20(19-64-46-40(60)39(59)36(56)31(17-52)69-46)7-10-29-21(2)33-30(68-29)16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,33)6)67-49-45(72-48-42(62)38(58)35(55)23(4)66-48)43(63)44(32(18-53)70-49)71-47-41(61)37(57)34(54)22(3)65-47/h8,20,22-23,25-28,30-49,52-63H,7,9-19H2,1-6H3/t20-,22+,23+,25+,26-,27+,28+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42-,43+,44-,45-,46-,47+,48+,49-,50+,51+/m1/s1 > [C@]12(CC=C3C[C@@H](O[C@H]4[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](CO)O4)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H]3C(=C(CC[C@@H](C)CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)O[C@H]3C[C@@]21[H])C)[H] > - > - > 81111 > - > - > - > 52931426 > - > - > - > - > - > 29710 > - $$$$