LMPK12112030 LIPID_MAPS_STRUCTURE_DATABASE 48 52 0 0 0 0 0 0 0 0999 V2000 12.9791 13.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0708 13.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0708 14.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9791 15.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8874 14.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8874 13.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1624 13.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2541 13.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 13.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 12.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2541 11.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1624 12.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4375 13.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5291 13.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5291 12.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4375 11.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2541 10.9066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6547 15.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9370 11.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4375 10.9466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6790 13.8696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4375 14.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6706 15.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6706 16.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5137 16.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7971 16.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5504 14.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6706 17.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5552 10.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3681 8.7556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5656 7.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9405 10.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8449 10.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6539 10.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5589 9.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6577 8.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8486 9.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9473 9.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3606 11.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9790 10.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7899 8.4362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2710 9.1687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3633 10.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2660 10.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0765 9.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9818 9.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0792 8.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9846 7.6099 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 11 17 2 0 0 0 0 5 18 1 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 14 21 1 0 0 0 0 13 22 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 24 26 1 0 0 0 0 18 27 1 0 0 0 0 24 28 1 0 0 0 0 37 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 6 0 0 33 19 1 1 0 0 34 29 1 6 0 0 35 30 1 6 0 0 36 31 1 1 0 0 47 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 6 0 0 43 29 1 1 0 0 44 39 1 6 0 0 45 40 1 6 0 0 46 41 1 1 0 0 M END > LMPK12112030 > Wanepimedoside A > 3-[[6-Deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one > C33H42O15 > 678.25 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > 8-(3''-Hydroxy-3''-methylbutyl)kaempferol 4'-methyl ether 3-rhamnosyl-(1->2)-rhamnoside > BVEUNAOFYLSYJU-NLDOALJTSA-N > InChI=1S/C33H42O15/c1-13-21(36)24(39)26(41)31(44-13)48-30-25(40)22(37)14(2)45-32(30)47-29-23(38)20-19(35)12-18(34)17(10-11-33(3,4)42)28(20)46-27(29)15-6-8-16(43-5)9-7-15/h6-9,12-14,21-22,24-26,30-32,34-37,39-42H,10-11H2,1-5H3/t13-,14-,21-,22-,24+,25+,26+,30+,31-,32-/m0/s1 > C1C=C(OC)C=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)[C@H](C)O2)C(=O)C2C(O)=CC(O)=C(CCC(O)(C)C)C=2O1 > - > - > - > - > - > - > 101999901 > - > - > - > - > - > 33090; 63350 > - $$$$