LMPR01070871 LIPID_MAPS_STRUCTURE_DATABASE 43 45 0 0 0 999 V2000 3.8749 -6.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8749 -7.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7268 -8.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5787 -7.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5787 -6.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7268 -6.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4481 -6.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3000 -6.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1519 -6.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0037 -6.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8556 -6.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7075 -6.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5593 -6.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4112 -6.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2631 -6.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1150 -6.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9668 -6.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8187 -6.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6706 -6.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5224 -6.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2349 -5.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2186 -5.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0231 -8.4299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1519 -5.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8556 -5.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4573 -4.7844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5593 -5.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5224 -7.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3742 -6.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2262 -5.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0780 -5.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9132 -5.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7652 -5.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7654 -4.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9302 -4.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0782 -4.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4214 -6.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4050 -6.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6222 -3.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4305 -7.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4436 -8.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5787 -8.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2099 -3.9936 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 1 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 5 7 1 6 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 6 21 1 0 0 0 6 22 1 0 0 0 2 23 1 1 0 0 9 24 1 0 0 0 11 25 1 0 0 0 24 25 1 0 0 0 24 26 2 0 0 0 13 27 1 0 0 0 20 28 1 0 0 0 29 20 1 0 0 0 29 30 3 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 31 36 2 0 0 0 32 37 1 0 0 0 32 38 1 0 0 0 34 39 1 1 0 0 5 40 1 1 0 0 4 41 1 6 0 0 4 42 1 1 0 0 36 43 1 0 0 0 M END > LMPR01070871 > Hydratopyrrhoxanthinol > (3S,5R,6R,3'R)-3,5,6,3'-Tetrahydroxy-7',8'-didehydro-5,6-dihydro-12',13',20'-trinor-beta,beta-caroten-19,11-olide > C37H48O6 > 588.35 > Prenol Lipids [PR] > Isoprenoids [PR01] > C40 isoprenoids (tetraterpenes) [PR0107] > - > > NKLWCOIOKXMOKC-OCOPTUJHSA-N > InChI=1S/C37H48O6/c1-25(15-16-32-27(3)20-29(38)22-34(32,4)5)13-11-9-10-12-14-26(2)19-31-21-28(33(40)43-31)17-18-37(42)35(6,7)23-30(39)24-36(37,8)41/h9-14,17-19,21,29-30,38-39,41-42H,20,22-24H2,1-8H3/b11-9+,12-10+,18-17+,25-13+,26-14+,31-19-/t29-,30+,36-,37-/m1/s1 > C1C(C)(C)[C@](O)(C=CC2C(=O)O/C(=C\C(\C)=C\C=C\C=C\C=C(\C#CC3=C(C)C[C@@H](O)CC3(C)C)/C)/C=2)[C@](C)(O)C[C@H]1O > - > - > - > - > - > - > 134752613 > - > - > - > - > - > 160607 > - $$$$