LMPK12010238 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 999 V2000 9.2373 10.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2373 9.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1283 8.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0195 9.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0195 10.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1283 10.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9107 8.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8018 9.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8018 10.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9107 10.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6927 10.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6010 10.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5091 10.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5091 11.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6008 12.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6927 11.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3464 10.8444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4005 12.4078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1283 7.7578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2132 8.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6008 13.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3610 13.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2862 5.7934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6637 4.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8885 5.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4267 7.6210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0330 6.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3197 7.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3986 6.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5846 5.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6971 6.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6182 7.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7307 7.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1776 8.4394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2966 6.8169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4508 5.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3500 6.5800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1818 4.1862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7725 7.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7546 7.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3145 6.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8915 5.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9094 5.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4864 4.8840 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 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 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 15 21 1 0 0 0 0 21 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 19 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 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 39 20 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 M CHG 1 10 1 M END > LMPK12010238 > Peonin > 3,5-Bis(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium > C28H33O16 > 625.18 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > Peonidin 3-glucoside-5-glucoside; Peonidin 3,5-diglucoside > IPVSUYLZIAYTOK-DPOJTEBASA-O > InChI=1S/C28H32O16/c1-39-16-4-10(2-3-13(16)32)26-17(42-28-25(38)23(36)21(34)19(9-30)44-28)7-12-14(40-26)5-11(31)6-15(12)41-27-24(37)22(35)20(33)18(8-29)43-27/h2-7,18-25,27-30,33-38H,8-9H2,1H3,(H-,31,32)/p+1/t18-,19-,20-,21-,22+,23+,24-,25-,27-,28-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(OC)C(O)=CC=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1 > - > - > 177075 > - > - > - > 5488811 > - > - > - > - > - > 33090; 35883 > - $$$$