LMPK12130051 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 0 0 0 0 0999 V2000 12.9777 -6.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9777 -5.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0908 -5.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2038 -5.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2038 -6.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0908 -7.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9517 -7.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5536 -6.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9517 -5.5255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5987 -5.3555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3079 -6.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8178 -6.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3307 -7.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3563 -7.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8693 -6.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3563 -5.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3307 -5.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8934 -6.3538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1981 -8.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8686 -4.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8686 -8.1291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0908 -8.4021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6237 -4.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1836 -5.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7695 -6.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -6.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3082 -6.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7224 -5.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1575 -5.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7955 -6.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9152 -7.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8681 -7.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 -3.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0941 -4.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6800 -5.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2396 -6.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2186 -6.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6327 -5.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5893 -4.2329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0680 -4.6892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7060 -5.7505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8257 -7.3538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7785 -7.1831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2427 -8.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 4 10 1 0 0 0 0 8 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 12 1 0 0 0 0 15 18 1 0 0 0 0 7 19 2 0 0 0 0 16 20 1 0 0 0 0 14 21 1 0 0 0 0 6 22 1 0 0 0 0 25 30 1 1 0 0 26 31 1 6 0 0 27 32 1 6 0 0 24 23 1 6 0 0 25 24 1 0 0 0 26 25 1 0 0 0 27 26 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 24 29 1 0 0 0 35 41 1 6 0 0 36 42 1 1 0 0 37 43 1 6 0 0 34 33 1 1 0 0 35 34 1 0 0 0 36 35 1 0 0 0 37 36 1 0 0 0 38 37 1 0 0 0 40 38 1 0 0 0 34 40 1 0 0 0 39 33 1 0 0 0 28 41 1 1 0 0 38 10 1 1 0 0 22 44 1 0 0 0 M END > LMPK12130051 > Subulin > 6,3',4',5'-Tetrahydroxy-4-methoxyaurone 6-rhamnosyl-(1-4)-glucoside > C28H32O16 > 624.17 > Polyketides [PK] > Flavonoids [PK12] > Aurone flavonoids [PK1213] > - > > VNQWBHCOIDFEBH-XKJOOAMRSA-N > InChI=1S/C28H32O16/c1-9-19(32)22(35)24(37)27(40-9)44-26-17(8-29)43-28(25(38)23(26)36)41-11-6-14(39-2)18-15(7-11)42-16(21(18)34)5-10-3-12(30)20(33)13(31)4-10/h3-7,9,17,19,22-33,35-38H,8H2,1-2H3/t9-,17+,19-,22+,23+,24+,25+,26+,27-,28+/m0/s1 > C12C(=O)C(=CC3C=C(O)C(O)=C(O)C=3)OC=1C=C(O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)CO)C=C2OC > - > - > - > - > - > - > 42607781 > - > - > - > - > - > 33090; 1008370 > - $$$$