Mrv1652306202100103D 57 60 0 0 0 0 999 V2000 1.7994 1.7900 0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7223 1.4327 1.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2392 2.4594 2.2419 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4674 2.2822 3.7395 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8111 0.8367 4.1019 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2272 -0.1868 3.5787 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2415 -1.6045 3.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5874 0.0317 4.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4243 -0.0321 2.0257 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7605 -0.5483 1.1611 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3540 -0.9091 -0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5783 -0.0608 -1.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1258 1.1835 -1.2272 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2481 -0.4415 -2.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3445 -1.6785 -2.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6534 -1.9893 -4.1878 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2432 -3.2150 -4.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5425 -3.4457 -5.8784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1233 -2.4172 -6.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4114 -2.6057 -7.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1108 -3.8216 -8.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3911 -4.0065 -9.9118 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5254 -4.8464 -7.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2473 -6.0165 -8.5033 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2366 -4.6688 -6.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5514 -4.1212 -3.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2343 -3.8253 -2.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4848 -4.6260 -1.2151 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6017 -2.5318 -1.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2551 -2.1528 -0.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4921 -2.9792 0.5574 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0194 2.8297 0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4957 1.0493 0.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1992 2.3735 1.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1203 3.4786 2.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4228 2.6060 4.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2829 2.9402 4.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8012 0.5989 3.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 0.7574 5.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2787 -1.7934 3.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3921 -2.3708 3.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1977 -1.7470 5.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3101 -0.7371 3.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -0.0264 5.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0364 1.0026 4.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3071 -0.6351 1.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5913 0.1667 1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2035 -1.4513 1.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9122 1.5155 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4467 0.2351 -3.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3623 -1.4585 -6.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8637 -1.8107 -8.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0925 -4.9180 -10.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8241 -6.6265 -7.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7653 -5.4664 -5.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0352 -5.0675 -3.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9151 -3.8051 0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 17 16 1 0 0 0 0 29 30 2 0 0 0 0 27 28 2 0 0 0 0 9 6 1 0 0 0 0 30 11 1 0 0 0 0 18 19 2 0 0 0 0 11 12 2 0 0 0 0 19 20 1 0 0 0 0 14 15 2 0 0 0 0 20 21 2 0 0 0 0 15 29 1 0 0 0 0 21 23 1 0 0 0 0 6 5 1 0 0 0 0 23 25 2 0 0 0 0 25 18 1 0 0 0 0 5 4 1 0 0 0 0 21 22 1 0 0 0 0 17 18 1 0 0 0 0 12 14 1 0 0 0 0 4 3 1 0 0 0 0 2 9 1 0 0 0 0 9 10 1 0 0 0 0 12 13 1 0 0 0 0 11 10 1 0 0 0 0 6 7 1 6 0 0 0 15 16 1 0 0 0 0 6 8 1 0 0 0 0 29 27 1 0 0 0 0 30 31 1 0 0 0 0 27 26 1 0 0 0 0 2 1 2 3 0 0 0 2 3 1 0 0 0 0 26 17 2 0 0 0 0 23 24 1 0 0 0 0 9 46 1 6 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 26 56 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 25 55 1 0 0 0 0 22 53 1 0 0 0 0 14 50 1 0 0 0 0 13 49 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 31 57 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 24 54 1 0 0 0 0 M END > NP0030962 > NP-MRD > [H]OC1=C([H])C([H])=C(C([H])=C1O[H])C1=C([H])C(=O)C2=C(O[H])C(=C(O[H])C([H])=C2O1)C([H])([H])[C@@]1([H])C(=C([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H] > InChI=1S/C25H26O6/c1-13-5-4-8-25(2,3)16(13)10-15-18(27)11-22-23(24(15)30)20(29)12-21(31-22)14-6-7-17(26)19(28)9-14/h6-7,9,11-12,16,26-28,30H,1,4-5,8,10H2,2-3H3/t16-/m0/s1 > VCPZVNMTXCALPA-INIZCTEOSA-N > C25H26O6 > 422.477 > 422.172938557 > 6 > 57 > 45.94386995369659 > 1 > 4 > 0 > 1 > 2-(3,4-dihydroxyphenyl)-6-{[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]methyl}-5,7-dihydroxy-4H-chromen-4-one > 4.68 > 5.489121221666666 > -4.25 > 0 > 4 > -1 > 8.20457794887347 > 6.846492526506613 > -5.373213005745121 > 107.22000000000001 > 119.03719999999996 > 3 > 0 > 2.40e-02 g/l > 2-(3,4-dihydroxyphenyl)-6-{[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]methyl}-5,7-dihydroxychromen-4-one > 0 > NP0030962 > ugonin J $$$$