LMPK12112110 LIPID_MAPS_STRUCTURE_DATABASE 52 57 0 0 0 0 0 0 0 0999 V2000 6.2589 10.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2589 9.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9636 9.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6683 9.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6683 10.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9636 11.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3730 9.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0777 9.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0777 10.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3730 11.1953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3730 8.8389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7823 11.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5005 10.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2188 11.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2188 12.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5005 12.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7823 12.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 11.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9366 9.5044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9636 8.8581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0218 12.4882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4244 8.4185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6861 8.8448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9204 8.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6861 7.2005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4149 6.8076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1902 7.5938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3358 9.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7749 7.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2350 6.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9813 9.7208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6305 9.1123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6396 9.1331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3371 9.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0515 10.1679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6305 9.6295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6396 9.6312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5005 13.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8948 6.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7782 5.4922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6971 5.4922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0366 6.1311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8109 7.0272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8917 7.0274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5523 6.3882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9108 7.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4493 7.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7134 6.5268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1630 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4014 5.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6396 8.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3576 8.1360 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 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 9 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 25 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 6 0 0 0 27 29 1 6 0 0 0 26 30 1 6 0 0 0 23 19 1 1 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 34 33 1 0 0 0 0 34 35 1 0 0 0 0 35 31 1 0 0 0 0 32 36 1 1 0 0 0 33 37 1 1 0 0 0 31 28 1 6 0 0 0 16 38 1 0 0 0 0 25 39 1 1 0 0 0 41 40 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 40 1 0 0 0 0 44 46 1 1 0 0 0 43 47 1 6 0 0 0 45 48 1 1 0 0 0 40 49 1 6 0 0 0 41 50 1 1 0 0 0 50 39 1 0 0 0 0 33 51 1 0 0 0 0 51 52 1 0 0 0 0 M END > LMPK12112110 > Quercetin 3-(2G-apiosylrutinoside) > > C32H38O20 > 742.20 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > UPVDFUGORYNXMW-VCKCKQTPSA-N > InChI=1S/C32H38O20/c1-10-19(38)22(41)24(43)29(48-10)46-7-17-20(39)23(42)27(52-31-28(44)32(45,8-33)9-47-31)30(50-17)51-26-21(40)18-15(37)5-12(34)6-16(18)49-25(26)11-2-3-13(35)14(36)4-11/h2-6,10,17,19-20,22-24,27-31,33-39,41-45H,7-9H2,1H3/t10-,17+,19-,20+,22+,23-,24+,27+,28-,29+,30-,31-,32+/m0/s1 > C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@](CO)(O)[C@H]3O)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 44259159 > - > - > - > - > - > 33090 > - $$$$