LMPR01070703 LIPID_MAPS_STRUCTURE_DATABASE 68 70 0 0 0 999 V2000 25.9382 -12.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9382 -13.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8070 -14.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6760 -13.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6760 -12.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8070 -12.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5626 -12.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4317 -12.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3004 -12.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1692 -12.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0380 -12.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9068 -12.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7756 -12.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6446 -12.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5133 -12.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3823 -12.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2511 -12.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1199 -12.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9888 -12.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.8576 -12.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.7265 -12.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5953 -12.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3054 -11.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3085 -11.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5581 -14.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.4594 -12.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3138 -12.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.1657 -12.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.0189 -12.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8878 -12.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8878 -11.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.0346 -10.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.1658 -11.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.5173 -13.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.5205 -13.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.2813 -10.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5953 -13.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1199 -13.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3004 -11.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7756 -11.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0689 -14.2476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8572 -14.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0017 -14.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8571 -13.2463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1518 -14.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3021 -14.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4344 -14.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5667 -14.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6989 -14.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8419 -14.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 -14.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1391 -14.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2877 -14.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4359 -14.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5842 -14.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3314 -14.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4626 -14.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4626 -15.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3314 -16.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2001 -15.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2001 -14.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0689 -16.2541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3314 -17.2573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5937 -16.2541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5937 -14.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7250 -14.7492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7315 -14.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5841 -13.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 5 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 6 23 1 0 0 0 6 24 1 0 0 0 4 25 1 0 0 0 22 26 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 28 33 2 0 0 0 29 34 1 0 0 0 29 35 1 0 0 0 33 36 1 0 0 0 22 37 1 0 0 0 18 38 1 0 0 0 9 39 1 0 0 0 13 40 1 0 0 0 2 41 1 1 0 0 42 43 1 0 0 0 42 44 2 0 0 0 43 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 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 53 54 1 0 0 0 54 55 1 0 0 0 56 57 1 0 0 0 56 61 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 60 62 1 6 0 0 59 63 1 1 0 0 58 64 1 6 0 0 57 65 1 1 0 0 65 66 1 0 0 0 61 41 1 1 0 0 66 42 1 0 0 0 55 67 1 0 0 0 55 68 1 0 0 0 M END > LMPR01070703 > Thermocryptoxanthin-15 > (3R)-3-[(6-O-12-Methyltridecanoyl-b-D-glucopyranosyl)oxy]-beta,beta-carotene > C61H94O7 > 938.70 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > RDUYXVUZPBWYNT-RXOYWAAPSA-N > InChI=1S/C61H94O7/c1-44(2)27-20-18-16-14-13-15-17-19-21-35-55(62)66-43-54-56(63)57(64)58(65)59(68-54)67-51-41-50(8)53(61(11,12)42-51)39-37-48(6)33-25-31-46(4)29-23-22-28-45(3)30-24-32-47(5)36-38-52-49(7)34-26-40-60(52,9)10/h22-25,28-33,36-39,44,51,54,56-59,63-65H,13-21,26-27,34-35,40-43H2,1-12H3/b23-22+,30-24+,31-25+,38-36+,39-37+,45-28+,46-29+,47-32+,48-33+/t51-,54-,56-,57+,58-,59-/m1/s1 > C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C)CCCC2(C)C)=C(C)C[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CCCCCCCCCCCC(C)C)O1 > - > - > - > - > - > - > 101196445 > - > - > - > - > - > 274 > 8661926 $$$$