LMPK12110495 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 9.3777 2.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3777 1.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3457 0.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3137 1.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3137 2.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3457 3.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2818 0.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2498 1.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2498 2.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2818 3.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2818 0.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6128 3.0727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3457 0.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3253 3.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3454 2.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3654 3.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3654 4.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3454 4.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3253 4.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3850 4.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3850 2.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3895 -0.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6561 -1.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9278 -0.4921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6559 1.5095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1650 0.8621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5254 1.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5254 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6559 -0.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7919 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7919 1.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9278 1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3190 -1.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8233 -2.9607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3995 -4.3610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9290 -2.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6424 -1.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6071 -1.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8586 -2.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1467 -3.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1820 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4700 -3.8293 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 3 13 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 18 19 2 0 0 0 0 19 14 1 0 0 0 0 14 9 1 0 0 0 0 17 20 1 0 0 0 0 16 21 1 0 0 0 0 26 32 1 0 0 0 31 25 1 0 0 0 25 27 1 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 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 27 2 1 1 0 0 41 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 0 0 0 41 42 1 6 0 0 37 22 1 1 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 1 1 0 0 M END > LMPK12110495 > Isoorientin 2''-O-rhamnoside > > C27H30O15 > 594.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > IUYFTHKQEWZTHY-QMVGNYJJSA-N > InChI=1S/C27H30O15/c1-8-19(33)22(36)24(38)27(39-8)42-26-23(37)20(34)16(7-28)41-25(26)18-13(32)6-15-17(21(18)35)12(31)5-14(40-15)9-2-3-10(29)11(30)4-9/h2-6,8,16,19-20,22-30,32-38H,7H2,1H3/t8-,16+,19-,20+,22+,23-,24+,25-,26+,27-/m0/s1 > C1(O)=CC2OC(C3C=CC(O)=C(O)C=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)[C@@H](O)[C@H](O)[C@@H](CO)O1 > - > - > 70203 > - > - > - > 50993776 > - > - > - > - > - > 33090 > - $$$$