LMPK12120476 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 0 0 0 0 0999 V2000 17.8102 6.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7041 7.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7041 8.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8102 8.9443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9164 8.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9164 7.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9667 6.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9617 7.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9908 6.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0696 7.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0696 8.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1588 8.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2480 8.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2480 7.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1588 6.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9908 6.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5343 8.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5028 6.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1588 6.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5385 7.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5385 8.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6214 9.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7043 8.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7043 7.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6214 6.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6214 6.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1588 9.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1557 10.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1557 11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2958 12.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 10.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2958 10.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7869 10.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7869 11.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9238 12.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 11.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 10.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9238 10.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5039 11.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8261 11.9371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6214 9.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8724 8.9146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7661 8.3986 0.0000 C 0 0 0 0 0 0 0 0 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 6 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 11 2 0 0 0 0 11 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 10 1 0 0 0 0 9 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 25 26 1 0 0 0 0 12 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 28 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 35 40 1 0 0 0 0 29 41 1 0 0 0 0 22 42 1 0 0 0 0 42 34 1 0 0 0 0 11 43 1 0 0 0 0 43 44 1 0 0 0 0 M END > LMPK12120476 > Isotriuvaretin > 1-[2,4-Dihydroxy-3-[2-hydroxy-5-(2-hydroxybenzyl)benzyl]-5-(2-hydroxybenzyl)-6-methoxyphenyl]-3-phenyl-1-propanone > C37H34O7 > 590.23 > Polyketides [PK] > Flavonoids [PK12] > Chalcones and dihydrochalcones [PK1212] > - > > CHUSLHRISJPBMD-UHFFFAOYSA-N > InChI=1S/C37H34O7/c1-44-37-29(21-26-12-6-8-14-31(26)39)35(42)28(36(43)34(37)33(41)18-15-23-9-3-2-4-10-23)22-27-20-24(16-17-32(27)40)19-25-11-5-7-13-30(25)38/h2-14,16-17,20,38-40,42-43H,15,18-19,21-22H2,1H3 > C1C(CCC(=O)C2C(O)=C(CC3C(O)=CC=C(CC4C=CC=CC=4O)C=3)C(O)=C(CC3C=CC=CC=3O)C=2OC)=CC=CC=1 > - > - > - > - > - > - > 367173 > - > - > - > - > - > 33090; 673191 > - $$$$