LMPK12140614 LIPID_MAPS_STRUCTURE_DATABASE 47 51 0 0 0 0 0 0 0 0999 V2000 10.6538 -5.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6538 -6.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5440 -6.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4344 -6.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4344 -5.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5440 -4.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3249 -6.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2153 -6.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2153 -5.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3249 -4.5677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1054 -4.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0129 -5.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9204 -4.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9204 -3.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0129 -2.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1054 -3.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3249 -7.4945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5440 -7.6517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 -4.5680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5440 -3.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6540 -2.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6540 -1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7640 -1.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5440 -1.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 -6.6239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8276 -2.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2863 -8.5921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2863 -10.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6155 -11.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7761 -9.0755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6143 -8.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4508 -9.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4496 -10.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6142 -10.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7775 -10.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9420 -10.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5638 -11.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6936 -12.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -11.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4635 -9.6623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1445 -10.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8879 -11.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -11.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2743 -10.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5309 -9.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -9.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0662 -10.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 5 1 0 0 0 9 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 11 1 0 0 0 7 17 2 0 0 0 3 18 1 0 0 0 1 19 1 0 0 0 6 20 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 2 25 1 0 0 0 14 26 1 0 0 0 35 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 1 0 0 32 27 1 6 0 0 33 28 1 1 0 0 34 29 1 6 0 0 45 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 0 0 0 44 45 1 0 0 0 45 46 1 6 0 0 42 37 1 6 0 0 43 38 1 6 0 0 44 39 1 1 0 0 31 18 1 1 0 0 36 47 1 0 0 0 41 47 1 1 0 0 M END > LMPK12140614 > Nirurin > 5-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-6,7-dihydroxy-2alpha-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one > C32H40O15 > 664.24 > Polyketides [PK] > Flavonoids [PK12] > Flavanones [PK1214] > - > > POYMCXRWXZAMNO-PYKNXDPZSA-N > InChI=1S/C32H40O15/c1-12(2)4-9-16-22(36)26(40)30(20-17(34)10-18(45-29(16)20)14-5-7-15(33)8-6-14)47-32-28(42)25(39)23(37)19(46-32)11-43-31-27(41)24(38)21(35)13(3)44-31/h4-8,13,18-19,21,23-25,27-28,31-33,35-42H,9-11H2,1-3H3/t13-,18?,19+,21-,23+,24+,25-,27+,28+,31+,32-/m0/s1 > C1(O)=C(C/C=C(\C)/C)C2OC(C3C=CC(O)=CC=3)CC(=O)C=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)O2)=C1O > - > - > - > - > - > - > 102405297 > - > - > - > - > - > 33090; 1908408 > 6549468 $$$$