Mrv1652306202100103D 61 64 0 0 0 0 999 V2000 1.6970 -1.0361 -2.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5082 -0.5940 -2.2805 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0097 -1.4237 -1.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6398 -0.9103 -0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8163 0.5467 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6412 1.2344 -0.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8738 2.6057 -0.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2868 3.2945 0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4811 4.6373 0.3967 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4735 2.6308 1.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0639 3.3602 2.1668 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2119 1.2567 1.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6802 0.5914 2.0681 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1935 0.9665 2.0391 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8499 0.5197 0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7953 1.4801 -0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5379 -0.6338 0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7828 -1.5712 1.7810 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1311 -1.1580 3.1027 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9835 0.3737 3.2719 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2727 0.6556 4.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3814 1.0367 3.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2145 -1.6484 0.7997 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 -3.0067 0.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5726 -3.7072 1.8867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4436 -5.0916 1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9613 -5.7375 3.0201 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8089 -5.7887 0.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2975 -5.0816 -0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3113 -5.8222 -1.1507 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4157 -3.6869 -0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1159 -2.9121 -1.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6169 -3.5147 -2.3084 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1806 -0.1600 -3.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 -1.7236 -3.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4038 -1.4884 -2.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1084 0.6931 -1.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5099 3.1027 -1.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 4.9553 -0.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2646 4.2699 2.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5851 -0.4957 2.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2457 0.8596 3.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2851 2.0585 2.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4379 1.1574 -1.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1459 2.4694 -0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7846 1.5809 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0201 -0.9026 -0.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8679 -1.6387 1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4432 -2.5768 1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1436 -1.6334 3.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7106 -1.5815 3.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 0.0779 4.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0274 1.7188 4.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 0.3807 5.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2872 2.1156 3.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9533 0.6197 4.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9865 0.9010 2.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0729 -3.1780 2.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8025 -6.6918 2.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7049 -6.8687 0.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5924 -5.2073 -1.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 32 33 2 0 0 0 0 31 29 2 0 0 0 0 17 15 2 0 0 0 0 5 6 2 0 0 0 0 29 28 1 0 0 0 0 6 7 1 0 0 0 0 28 26 2 0 0 0 0 7 8 2 0 0 0 0 25 24 2 0 0 0 0 8 10 1 0 0 0 0 24 31 1 0 0 0 0 10 12 2 0 0 0 0 12 5 1 0 0 0 0 18 19 1 0 0 0 0 8 9 1 0 0 0 0 4 5 1 0 0 0 0 19 20 1 0 0 0 0 3 2 1 0 0 0 0 26 25 1 0 0 0 0 20 14 1 0 0 0 0 14 15 1 0 0 0 0 17 18 1 0 0 0 0 26 27 1 0 0 0 0 14 13 1 0 0 0 0 29 30 1 0 0 0 0 24 23 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 31 32 1 0 0 0 0 2 1 1 0 0 0 0 32 3 1 0 0 0 0 20 21 1 1 0 0 0 3 4 2 0 0 0 0 20 22 1 0 0 0 0 4 23 1 0 0 0 0 15 16 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 14 43 1 1 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 28 60 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 9 39 1 0 0 0 0 25 58 1 0 0 0 0 27 59 1 0 0 0 0 30 61 1 0 0 0 0 11 40 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 M END > NP0030960 > NP-MRD > [H]OC1=C([H])C(O[H])=C2C(=O)C(OC([H])([H])[H])=C(OC2=C1[H])C1=C([H])C([H])=C(O[H])C(O[H])=C1C([H])([H])[C@]1([H])C(=C([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] > InChI=1S/C26H28O7/c1-13-6-5-9-26(2,3)17(13)12-16-15(7-8-18(28)22(16)30)24-25(32-4)23(31)21-19(29)10-14(27)11-20(21)33-24/h6-8,10-11,17,27-30H,5,9,12H2,1-4H3/t17-/m1/s1 > DKEBDGCVXCFMIM-QGZVFWFLSA-N > C26H28O7 > 452.503 > 452.183503242 > 7 > 61 > 47.20770809739891 > 1 > 4 > 0 > 1 > 2-(3,4-dihydroxy-2-{[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methyl}phenyl)-5,7-dihydroxy-3-methoxy-4H-chromen-4-one > 5.12 > 5.2971905926666665 > -4.94 > 0 > 4 > -1 > 7.905755302041072 > 6.378872763738382 > -4.875059698993612 > 116.45000000000002 > 126.82829999999998 > 4 > 0 > 5.15e-03 g/l > 2-(3,4-dihydroxy-2-{[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methyl}phenyl)-5,7-dihydroxy-3-methoxychromen-4-one > 0 > NP0030960 > ugonin H $$$$