LMPK12020044 LIPID_MAPS_STRUCTURE_DATABASE 38 42 0 0 0 999 V2000 7.4846 9.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4846 8.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3582 8.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2319 8.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2319 9.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3582 10.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1057 8.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9793 8.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9793 9.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1057 10.3857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8525 10.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7430 9.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6335 10.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6335 11.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7430 11.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8525 11.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5238 11.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3582 7.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8525 8.3682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6113 10.3855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5238 9.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3582 11.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1757 12.0102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8426 12.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8192 12.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5198 11.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2945 13.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4867 9.2165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1296 8.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1332 6.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6783 6.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3779 4.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6643 7.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4935 8.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3126 7.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3193 6.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4901 6.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4991 5.1967 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 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 6 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 14 17 1 0 0 0 0 3 18 1 0 0 0 0 8 19 1 6 0 0 0 1 20 1 0 0 0 0 13 21 1 0 0 0 0 6 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 25 26 1 0 0 0 0 26 22 1 0 0 0 0 24 27 2 0 0 0 0 32 38 1 0 0 0 37 31 1 0 0 0 31 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 1 0 0 33 19 1 1 0 0 34 28 1 6 0 0 35 29 1 6 0 0 36 30 1 6 0 0 M END > LMPK12020044 > Davallioside A > [(2R)-5,7-Dihydroxy-2alpha-(3,4-dihydroxyphenyl)-8-(2-pyrrolizinon-5-yl)chroman-3alpha-yl]beta-D-allopyranoside > C25H29NO12 > 535.17 > Polyketides [PK] > Flavonoids [PK12] > Flavans, Flavanols and Leucoanthocyanidins [PK1202] > - > > CJKRQCZVORIZCO-VWHNQVRASA-N > InChI=1S/C25H29NO12/c27-8-17-20(33)21(34)22(35)25(37-17)36-16-6-10-13(29)7-15(31)19(11-2-4-18(32)26-11)24(10)38-23(16)9-1-3-12(28)14(30)5-9/h1,3,5,7,11,16-17,20-23,25,27-31,33-35H,2,4,6,8H2,(H,26,32)/t11?,16-,17-,20-,21-,22-,23-,25-/m1/s1 > C1(O)=C(C2CCC(=O)N2)C2O[C@H](C3C=CC(O)=C(O)C=3)[C@H](O[C@H]3[C@H](O)[C@H](O)[C@H](O)[C@@H](CO)O3)CC=2C(O)=C1 > - > - > - > - > - > - > 21630024 > - > - > - > - > - > 33090; 29639 > - $$$$