LMPK12110518 LIPID_MAPS_STRUCTURE_DATABASE 41 45 0 0 0 999 V2000 10.8726 5.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4767 3.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3626 6.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3526 6.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8758 5.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2257 4.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2941 5.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2597 4.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6862 3.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3627 10.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3627 9.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2719 8.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1810 9.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1810 10.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2719 10.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0905 8.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9996 9.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9996 10.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0905 10.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0905 7.9522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4539 10.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2719 7.7214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0097 10.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9676 10.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9257 10.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9257 12.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9676 12.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0097 12.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6635 12.5890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8832 10.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2915 7.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5580 6.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8298 7.2616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5578 9.2632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0669 8.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4274 8.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4274 7.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5578 7.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6939 7.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6939 8.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8298 9.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 3 1 0 0 0 7 6 1 0 0 0 3 4 1 0 0 0 6 5 1 0 0 0 4 5 1 0 0 0 6 2 1 6 0 0 5 1 1 6 0 0 6 8 1 0 0 0 8 9 1 0 0 0 10 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 10 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 14 1 0 0 0 0 16 20 2 0 0 0 0 10 21 1 0 0 0 0 12 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 23 18 1 0 0 0 0 26 29 1 0 0 0 0 25 30 1 0 0 0 0 35 41 1 0 0 0 40 34 1 0 0 0 34 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 1 0 0 37 31 1 6 0 0 38 32 1 1 0 0 39 33 1 6 0 0 36 11 1 1 0 0 4 31 1 1 0 0 M END > LMPK12110518 > Isoorientin 2''-O-apiofuranoside > > C26H28O15 > 580.14 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > 6-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one > NOXWKJVYHCKSIY-FRCRZYEESA-N > InChI=1S/C26H28O15/c27-6-16-19(33)21(35)23(41-25-24(36)26(37,7-28)8-38-25)22(40-16)18-13(32)5-15-17(20(18)34)12(31)4-14(39-15)9-1-2-10(29)11(30)3-9/h1-5,16,19,21-25,27-30,32-37H,6-8H2/t16-,19-,21+,22+,23-,24+,25+,26-/m1/s1 > O[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2C2=C(O)C3C(=O)C=C(C4C=CC(O)=C(O)C=4)OC=3C=C2O)OC[C@@]1(CO)O > - > - > - > - > - > - > 178336017 > - > - > - > - > - > 33090 > - $$$$