LMPK12110214 LIPID_MAPS_STRUCTURE_DATABASE 41 45 0 0 0 0 0 0 0 0999 V2000 8.3143 -6.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3143 -7.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1867 -7.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0587 -7.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0587 -6.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1867 -5.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9311 -7.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8034 -7.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8034 -6.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9311 -5.9463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9311 -8.7459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4426 -5.9464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7291 -5.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7085 -6.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6881 -5.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6881 -4.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7085 -4.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7291 -4.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6663 -4.2806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1867 -8.9673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9360 -5.0467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9359 -3.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2630 -2.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4227 -4.5626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -5.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0995 -4.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0983 -3.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2618 -3.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4241 -3.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5876 -3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7108 -3.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4567 -4.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5537 -4.6463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9086 -2.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4347 -2.4364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7612 -3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1342 -4.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1806 -3.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8582 -3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4852 -2.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1626 -1.3538 0.0000 C 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 1 2 0 0 0 0 4 7 1 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 5 1 0 0 0 0 7 11 2 0 0 0 0 1 12 1 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 3 20 1 0 0 0 0 29 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 6 0 0 26 21 1 1 0 0 27 22 1 6 0 0 28 23 1 1 0 0 25 6 1 6 0 0 30 31 1 0 0 0 40 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 6 0 0 36 31 1 1 0 0 37 32 1 6 0 0 38 33 1 6 0 0 39 34 1 1 0 0 M END > LMPK12110214 > Abietin > 8-(6-O-alpha-L-Rhamnopyranosyl-beta-D-glucopyranosyl)-4',5,7-trihydroxyflavone > C27H30O14 > 578.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > Vitexin 6''-O-rhamnoside > QALDGQNNUSKYRM-TYLQWMPKSA-N > InChI=1S/C27H30O14/c1-9-19(32)21(34)24(37)27(39-9)38-8-16-20(33)22(35)23(36)26(41-16)18-13(30)6-12(29)17-14(31)7-15(40-25(17)18)10-2-4-11(28)5-3-10/h2-7,9,16,19-24,26-30,32-37H,8H2,1H3/t9-,16+,19-,20+,21+,22-,23+,24+,26-,27+/m0/s1 > C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)O2)C2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1 > - > - > - > - > - > - > 101422476 > - > - > - > - > - > 33090 > - $$$$