LMPK12140550 LIPID_MAPS_STRUCTURE_DATABASE 53 60 0 0 0 0 0 0 0 0999 V2000 10.4299 -7.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3215 -7.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4299 -9.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3227 -9.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2144 -9.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2137 -7.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1066 -9.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9981 -9.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9976 -7.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1054 -7.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1071 -10.3467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3232 -10.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5507 -10.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8156 -7.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7076 -8.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5996 -7.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5996 -6.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7076 -5.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8156 -6.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3402 -6.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3215 -6.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4299 -5.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5382 -6.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5382 -7.4728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2128 -5.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2128 -4.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3215 -4.3845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4299 -4.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0959 -4.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8632 -4.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6864 -4.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5782 -4.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4702 -4.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4702 -3.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5782 -2.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6864 -3.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2042 -2.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5771 -4.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5771 -3.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6851 -2.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7931 -3.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7931 -4.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6851 -4.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0895 -2.9705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5861 -6.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3196 -5.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3248 -4.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5964 -5.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8629 -6.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8577 -6.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8291 -5.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3215 -5.4786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4299 -6.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 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 6 1 0 0 0 0 7 11 2 0 0 0 0 4 12 1 0 0 0 0 12 13 1 0 0 0 0 9 14 1 4 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 17 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 1 1 0 0 0 0 21 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 22 1 0 0 0 0 26 29 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 31 1 0 0 0 0 34 37 1 0 0 0 0 28 38 1 1 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 38 1 0 0 0 0 41 44 1 0 0 0 0 23 45 1 1 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 45 1 0 0 0 0 48 51 1 0 0 0 0 21 52 1 6 0 0 0 22 53 1 1 0 0 0 M END > LMPK12140550 > (epi)calyxin J > 2,3,8abeta,9,12,12aalpha-Hexahydro-2,8beta,9beta-tris(4-hydroxyphenyl)-11beta-(4-hydroxyphenethyl)-5-methoxy-4H,8H,11H-1,7,10-trioxabenzo[c]phenanthrene-4-one > C42H38O9 > 686.25 > Polyketides [PK] > Flavonoids [PK12] > Flavanones [PK1214] > - > > VIDHFKRYBXNWLN-OMQYIVAFSA-N > InChI=1S/C42H38O9/c1-48-35-22-36-37(42-39(35)33(47)21-34(50-42)24-5-13-28(44)14-6-24)32-20-31(19-4-23-2-11-27(43)12-3-23)49-40(25-7-15-29(45)16-8-25)38(32)41(51-36)26-9-17-30(46)18-10-26/h2-3,5-18,22,31-32,34,38,40-41,43-46H,4,19-21H2,1H3/t31-,32-,34?,38-,40+,41-/m0/s1 > C12O[C@@H](C3C=CC(O)=CC=3)[C@]3([H])[C@@H](C4C=CC(O)=CC=4)O[C@@H](CCC4C=CC(O)=CC=4)C[C@@]3([H])C=1C1OC(C3C=CC(O)=CC=3)CC(=O)C=1C(OC)=C2 > - > - > 185776 > - > - > - > 11765183 > - > - > - > - > - > 33090; 105668 > 11430002 $$$$