LMPK12111620 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 7.5577 13.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5577 12.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3834 11.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2090 12.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2090 13.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3834 13.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0345 11.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8599 12.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8599 13.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0345 13.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0345 11.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6851 13.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5265 13.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3678 13.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3678 14.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5265 15.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6851 14.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3834 10.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9958 11.6135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8439 15.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 13.6508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5198 10.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1582 8.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2760 7.6801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8720 10.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7503 7.9769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8167 10.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5787 9.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3961 8.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4551 8.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6931 9.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7520 8.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5618 5.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7416 5.1515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1154 6.3105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0243 8.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8429 7.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7486 6.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8358 6.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0228 6.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1171 7.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3040 8.3029 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 8 1 0 0 0 0 17 20 1 0 0 0 0 1 21 1 0 0 0 0 26 32 1 0 0 0 31 25 1 0 0 0 25 27 1 0 0 0 27 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 1 0 0 27 19 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 41 36 1 0 0 0 36 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 6 0 0 37 26 1 1 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 1 1 0 0 M END > LMPK12111620 > Datiscin > > C27H30O15 > 594.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > BJJCTXDEJUWVIC-QHWHWDPRSA-N > InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-10(28)7-14(16)40-24(25)11-4-2-3-5-12(11)29/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 > C1(O)=CC2OC(C3C(O)=CC=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 10054207 > - > - > - > - > - > 33090 > - $$$$