LMPR0106010064 LIPID_MAPS_STRUCTURE_DATABASE 44 44 0 0 0 999 V2000 15.9429 -15.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7977 -15.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7029 -15.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5074 -15.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3623 -15.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2675 -15.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1223 -15.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9772 -15.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8824 -15.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7372 -15.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5921 -15.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4973 -15.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3522 -15.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2069 -15.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0619 -15.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9671 -15.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8218 -15.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6265 -15.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5074 -14.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9772 -14.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3522 -16.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8218 -16.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0880 -15.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1829 -15.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3280 -15.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0880 -14.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4814 -15.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3865 -15.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2414 -15.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0961 -15.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2414 -16.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1702 -16.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.9884 -15.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.7062 -15.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.5652 -15.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5652 -14.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7062 -13.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8474 -14.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8474 -15.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9884 -13.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.7062 -12.5657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.4242 -13.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.4242 -15.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2830 -15.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 4 19 1 0 0 0 0 8 20 1 0 0 0 0 13 21 1 0 0 0 0 17 22 1 0 0 0 0 1 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 23 26 1 0 0 0 0 18 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 24 32 2 0 0 0 0 30 33 1 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 6 0 0 0 37 41 1 1 0 0 0 36 42 1 6 0 0 0 35 43 1 1 0 0 0 43 44 1 0 0 0 0 39 33 1 1 0 0 0 M END > LMPR0106010064 > 4'-(beta-D-Glucopyranosyloxy)-7',8'-dihydro-4,4'-diapo-psi,psi-caroten-4-oic acid > 4'-(beta-D-Glucopyranosyloxy)-7',8'-dihydro-4,4'-diapo-psi,psi-caroten-4-oic acid > C36H48O8 > 608.33 > Prenol Lipids [PR] > Isoprenoids [PR01] > C30 isoprenoids (triterpenes) [PR0106] > Acyclic triterpenoids [PR010601] > > SPZOTGUASMZIGP-NKVGGDMGSA-N > InChI=1S/C36H48O8/c1-25(13-7-8-14-26(2)16-10-18-28(4)20-12-22-30(6)35(41)42)15-9-17-27(3)19-11-21-29(5)24-43-36-34(40)33(39)32(38)31(23-37)44-36/h7-22,31-34,36-40H,23-24H2,1-6H3,(H,41,42)/b8-7+,15-9+,16-10+,19-11+,20-12+,25-13+,26-14+,27-17+,28-18+,29-21+,30-22+/t31-,32-,33+,34-,36-/m1/s1 > C(=C(/C)\C(=O)O)/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)/CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1 > - > - > - > - > - > - > 162897629 > - > - > - > - > - > 1280 > - $$$$