Mrv0541 10081411312D 48 52 0 0 0 0 999 V2000 7.4167 -5.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2417 -5.6917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1125 -7.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -7.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 -4.9042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1792 -6.5042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4000 -6.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -4.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -6.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -8.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -7.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6417 -3.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -7.5875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8250 -7.9958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9750 -6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -8.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5125 -6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1458 -4.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6792 -4.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9042 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -7.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9833 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2125 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -6.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -6.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -7.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -8.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3375 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 -8.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -8.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -6.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4125 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8625 -2.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -6.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -6.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -9.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1083 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -9.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5583 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -5.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0625 -5.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -5.7042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 16 1 0 0 0 0 4 18 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 7 8 1 1 0 0 0 6 9 1 1 0 0 0 10 20 1 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 13 5 2 0 0 0 0 14 22 1 0 0 0 0 15 12 1 6 0 0 0 16 15 1 0 0 0 0 17 23 1 0 0 0 0 18 24 2 0 0 0 0 19 2 1 0 0 0 0 20 1 1 0 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 23 8 2 0 0 0 0 24 8 1 0 0 0 0 25 9 2 0 0 0 0 26 9 1 0 0 0 0 27 3 2 0 0 0 0 28 13 1 0 0 0 0 29 27 1 0 0 0 0 30 13 1 0 0 0 0 31 5 1 0 0 0 0 32 14 1 0 0 0 0 16 33 1 6 0 0 0 34 18 1 0 0 0 0 35 17 1 0 0 0 0 36 21 1 0 0 0 0 37 22 1 0 0 0 0 38 28 1 0 0 0 0 39 15 1 0 0 0 0 40 39 1 0 0 0 0 41 31 1 0 0 0 0 42 36 1 0 0 0 0 43 34 1 0 0 0 0 44 37 1 0 0 0 0 45 35 1 0 0 0 0 46 38 1 0 0 0 0 2 47 1 1 0 0 0 1 48 1 1 0 0 0 19 11 1 0 0 0 0 10 6 1 0 0 0 0 4 17 2 0 0 0 0 14 21 2 0 0 0 0 28 29 2 0 0 0 0 M END > CHEBI:67635 > (-)-(7R,7'R,7''R,8S,8'S,8''S)-4',4''-dihydroxy-3,3',3'',5,5',5''-hexamethoxy-7,9':7',9-diepoxy-4,8''-oxy-8,8'-sesquineolignan-7'',9''-diol > A neolignan isolated from Sinocalamus affinis. > 3 > (1R,2S)-1-(3-hydroxy-2,4-dimethoxyphenyl)-2-{4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3,5-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}propane-1,3-diol > C33H40O13 > 644.66290 > 644.24689 > 0 > COc1ccc([C@@H](O)[C@H](CO)Oc2c(OC)cc(cc2OC)[C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O)c(OC)c2)c(OC)c1O > InChI=1S/C33H40O13/c1-38-21-8-7-18(32(43-6)29(21)37)27(35)26(13-34)46-33-24(41-4)11-17(12-25(33)42-5)31-20-15-44-30(19(20)14-45-31)16-9-22(39-2)28(36)23(10-16)40-3/h7-12,19-20,26-27,30-31,34-37H,13-15H2,1-6H3/t19-,20-,26+,27-,30+,31+/m1/s1 > JLMIRNDPAYCMDI-KNIDDCBVSA-N > 21469695 $$$$