LMPK12112244 LIPID_MAPS_STRUCTURE_DATABASE 52 57 0 0 0 999 V2000 16.2007 15.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2007 14.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0954 13.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9901 14.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9901 15.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0954 16.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3060 13.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4112 14.5090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5165 13.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5165 12.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4112 12.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3060 12.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6217 14.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7270 13.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7270 12.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6217 12.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4112 11.4096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8324 14.5090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2007 12.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6217 11.4096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7314 15.9701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7774 14.0544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8182 12.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0776 11.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3565 12.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0987 14.5213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6032 13.8916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9647 14.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9577 13.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0845 12.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2241 13.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2312 14.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3707 14.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7910 11.2217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4433 9.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5658 8.5696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1434 11.1799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0857 11.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8523 10.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6766 9.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7380 9.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9714 10.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4385 12.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2466 11.4991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4041 9.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7753 9.7945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6935 10.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5172 11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4229 10.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5015 9.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6778 9.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7565 8.3720 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 27 33 1 0 0 0 32 26 1 0 0 0 26 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 0 0 0 32 33 1 1 0 0 28 18 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 0 0 42 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 0 0 0 39 34 1 6 0 0 40 35 1 1 0 0 41 36 1 1 0 0 51 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 6 0 0 47 34 1 1 0 0 48 43 1 6 0 0 49 44 1 6 0 0 50 45 1 1 0 0 38 19 1 1 0 0 M END > LMPK12112244 > Quercetin 3-rhamnosyl-(1->2)-alpha-L-arabinopyranoside-7-glucoside > > C32H38O20 > 742.20 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > Calabricoside A > PIVQUVFXPIBUOI-YTWWQYEOSA-N > InChI=1S/C32H38O20/c1-9-19(38)23(42)25(44)30(47-9)52-29-20(39)15(37)8-46-32(29)51-28-22(41)18-14(36)5-11(48-31-26(45)24(43)21(40)17(7-33)50-31)6-16(18)49-27(28)10-2-3-12(34)13(35)4-10/h2-6,9,15,17,19-21,23-26,29-40,42-45H,7-8H2,1H3/t9-,15-,17+,19-,20-,21+,23+,24-,25+,26+,29+,30-,31+,32-/m0/s1 > C1C=C(O)C(O)=CC=1C1=C(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@@H](O)CO2)C(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2O1 > - > - > 65550 > - > - > - > 10876384 > - > - > - > - > - > 33090 > - $$$$