Mrv1571301041617112D Mrv2104 06072104202D 52 57 0 0 0 0 999 V2000 1.9367 8.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9905 6.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5739 6.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5565 8.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8785 7.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2404 8.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5198 6.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1832 5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1399 8.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1936 6.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1866 6.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4002 6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 5.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3603 5.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6103 7.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9436 4.7020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 5.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8238 7.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5634 5.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7408 12.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3242 12.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1282 11.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7694 11.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0664 13.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0561 12.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4363 11.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6498 12.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2696 13.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1107 13.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6394 11.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 13.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4737 12.7055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3138 13.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4258 10.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3711 10.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9544 11.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7513 11.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3347 11.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9648 10.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7617 10.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9753 9.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7721 8.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3555 9.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3555 8.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9264 9.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1503 7.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9471 7.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3919 8.6207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3596 6.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3596 8.2761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1846 6.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9471 6.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 2 0 0 0 0 6 4 1 0 0 0 0 7 5 2 0 0 0 0 9 1 1 0 0 0 0 9 4 2 0 0 0 0 10 2 1 0 0 0 0 11 5 1 0 0 0 0 12 8 2 0 0 0 0 12 11 1 0 0 0 0 13 8 1 0 0 0 0 13 10 2 0 0 0 0 14 3 1 0 0 0 0 15 10 1 0 0 0 0 15 11 2 0 0 0 0 16 14 2 0 0 0 0 17 7 1 0 0 0 0 17 12 1 0 0 0 0 18 6 1 0 0 0 0 18 15 1 0 0 0 0 19 13 1 0 0 0 0 19 14 1 0 0 0 0 21 20 2 0 0 0 0 23 22 2 0 0 0 0 25 20 1 0 0 0 0 26 22 1 0 0 0 0 27 26 1 0 0 0 0 27 24 2 0 0 0 0 33 28 1 0 0 0 0 28 25 2 0 0 0 0 28 24 1 0 0 0 0 33 29 1 0 0 0 0 29 21 1 0 0 0 0 30 26 2 0 0 0 0 30 25 1 0 0 0 0 31 29 2 0 0 0 0 32 27 1 0 0 0 0 32 23 1 0 0 0 0 30 34 1 0 0 0 0 34 35 1 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 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 48 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 50 1 0 0 0 0 9 45 1 0 0 0 0 1 46 1 0 0 0 0 46 47 1 0 0 0 0 49 47 1 0 0 0 0 47 50 1 0 0 0 0 49 51 1 0 0 0 0 49 52 2 0 0 0 0 M END > PHUB000260 > phytohub > CC(=C)C(CC\C(C)=C\COC1=C2C=COC2=CC2=C1C=CC(=O)O2)OC(C)(C)C(O)CC\C(C)=C/COC1=C2C=COC2=CC2=C1C=CC(=O)O2 > InChI=1/C42H44O10/c1-25(2)32(11-7-26(3)15-19-48-40-28-9-13-38(44)50-35(28)23-33-30(40)17-21-46-33)52-42(5,6)37(43)12-8-27(4)16-20-49-41-29-10-14-39(45)51-36(29)24-34-31(41)18-22-47-34/h9-10,13-18,21-24,32,37,43H,1,7-8,11-12,19-20H2,2-6H3/b26-15+,27-16- > ZXUKAZPCOMPMHC-CXLQOVKTNA-N > C42H44O10 > 708.804 > 708.293447617 > 6 > 96 > -9.956268796490526e-08 > 77.41363049204172 > 0 > 1 > 0 > 0 > 4-{[(2E)-6-{[(6Z)-3-hydroxy-2,6-dimethyl-8-({7-oxo-7H-furo[3,2-g]chromen-4-yl}oxy)oct-6-en-2-yl]oxy}-3,7-dimethylocta-2,7-dien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one > 6.98 > 7.459931594999999 > -5.38 > 1 > 0 > 6 > 0 > 13.99981695696102 > -2.5229141251819622 > 126.80000000000003 > 198.82790000000003 > 16 > 0 > 2.97e-03 g/l > 4-{[(2E)-6-{[(6Z)-3-hydroxy-2,6-dimethyl-8-({7-oxofuro[3,2-g]chromen-4-yl}oxy)oct-6-en-2-yl]oxy}-3,7-dimethylocta-2,7-dien-1-yl]oxy}furo[3,2-g]chromen-7-one > 0 $$$$