LMPK12140451 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 0 0 0 0 0999 V2000 12.1425 8.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1425 7.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9702 7.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7976 7.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7976 8.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9702 9.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6254 7.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4529 7.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4529 8.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6254 9.4067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2801 9.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1307 8.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9815 9.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9815 10.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1307 10.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2801 10.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4529 10.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9702 6.5403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3153 9.4064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6254 6.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8301 8.9163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8320 10.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0135 10.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3234 7.2746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5410 6.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7639 7.2744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5408 9.3325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9795 8.6668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4349 8.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4349 7.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5408 7.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6525 7.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6525 8.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7639 9.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8229 10.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9573 11.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2767 10.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2262 8.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0723 9.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9826 10.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0469 10.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2067 9.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2964 8.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4561 8.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22 23 1 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 9 17 1 1 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 7 20 2 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 28 34 1 0 0 0 33 27 1 0 0 0 27 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 0 0 0 33 34 1 1 0 0 30 24 1 6 0 0 31 25 1 1 0 0 32 26 1 6 0 0 43 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 42 43 1 0 0 0 43 44 1 1 0 0 40 35 1 1 0 0 41 36 1 1 0 0 42 37 1 6 0 0 39 28 1 6 0 0 29 19 1 1 0 0 M END > LMPK12140451 > Hesperidin > (S)-7-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one > C28H34O15 > 610.19 > Polyketides [PK] > Flavonoids [PK12] > Flavanones [PK1214] > - > Cirantin; Hesperetin 7-rhamnoglucoside; Hesperetin 7-rutinoside; Hesperidoside > QUQPHWDTPGMPEX-QJBIFVCTSA-N > InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 > C1(O[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)C=C2O[C@]([H])(C3C=CC(OC)=C(O)C=3)CC(=O)C2=C(O)C=1 > C09755 > HMDB03265 > 28775 > - > - > - > 10621 > - > - > - > - > - > 33090; 38859 > 4789552 $$$$