Mrv1652306202100103D 59 63 0 0 0 0 999 V2000 1.6544 -0.1728 3.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3117 1.1223 3.3152 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 1.2582 2.9445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3601 1.8532 1.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6587 2.3491 0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2891 3.5742 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2584 4.0882 0.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5881 3.3782 -0.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5465 3.8908 -1.7042 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9652 2.1650 -1.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0082 1.6254 -0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3518 0.3163 -0.6583 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1051 -0.4954 -1.7228 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1968 -1.4880 -1.1694 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3607 -0.7917 -0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5759 -2.5037 -0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7601 -2.3059 -2.3677 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0692 -1.4846 -3.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5776 -0.2539 -3.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6302 0.4581 -2.8359 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4705 1.0222 -3.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3937 1.5670 -2.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6503 2.0374 1.3263 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 1.6020 2.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9770 1.7980 1.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0719 1.3766 2.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3138 1.5864 1.8369 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9005 0.7630 3.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6101 0.5709 4.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5045 -0.0378 5.3068 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4993 0.9888 3.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1259 0.7942 3.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9463 0.2644 4.9209 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7298 -0.3097 3.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1356 -0.9669 3.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4578 -0.2465 4.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0303 4.1314 2.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7519 5.0292 0.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6485 3.2250 -2.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6529 0.5452 -1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2039 -0.2823 0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3485 -1.1508 -2.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0830 -1.5307 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9165 -0.1075 -1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0102 -0.2340 0.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2849 -3.3072 0.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3021 -2.0387 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6777 -2.9685 -0.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6712 -2.8343 -2.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0421 -3.0794 -2.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7340 -1.9226 -4.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8822 0.2898 -4.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2132 1.6330 -3.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8457 1.6860 -4.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1107 0.2229 -4.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1299 2.2777 0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9792 1.2613 2.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7479 0.4313 4.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 -0.0928 5.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 32 3 1 0 0 0 0 3 4 2 0 0 0 0 4 23 1 0 0 0 0 17 14 1 0 0 0 0 32 33 2 0 0 0 0 14 13 1 0 0 0 0 31 29 2 0 0 0 0 5 6 2 0 0 0 0 13 20 1 0 0 0 0 6 7 1 0 0 0 0 29 28 1 0 0 0 0 7 8 2 0 0 0 0 28 26 2 0 0 0 0 8 10 1 0 0 0 0 25 24 2 0 0 0 0 10 11 2 0 0 0 0 11 5 1 0 0 0 0 24 31 1 0 0 0 0 8 9 1 0 0 0 0 4 5 1 0 0 0 0 19 18 2 0 0 0 0 3 2 1 0 0 0 0 26 25 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 0 0 0 0 26 27 1 0 0 0 0 18 17 1 0 0 0 0 29 30 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 20 22 1 0 0 0 0 2 1 1 0 0 0 0 13 12 1 0 0 0 0 19 20 1 0 0 0 0 24 23 1 0 0 0 0 20 21 1 6 0 0 0 31 32 1 0 0 0 0 13 42 1 6 0 0 0 19 52 1 0 0 0 0 18 51 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 28 58 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 56 1 0 0 0 0 27 57 1 0 0 0 0 30 59 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 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 M END > NP0030961 > 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])C2=C1C([H])([H])[C@@]1([H])[C@@](O2)(C([H])=C([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] > InChI=1S/C26H26O7/c1-25(2)8-5-9-26(3)19(25)12-15-14(6-7-16(28)22(15)33-26)23-24(31-4)21(30)20-17(29)10-13(27)11-18(20)32-23/h5-7,9-11,19,27-29H,8,12H2,1-4H3/t19-,26+/m1/s1 > NOXOLBDOTGSZPB-BCHFMIIMSA-N > C26H26O7 > 450.487 > 450.167853177 > 7 > 59 > 47.08011138739767 > 1 > 3 > 0 > 1 > 2-[(4aS,9aR)-5-hydroxy-1,1,4a-trimethyl-2,4a,9,9a-tetrahydro-1H-xanthen-8-yl]-5,7-dihydroxy-3-methoxy-4H-chromen-4-one > 5.22 > 4.846019777 > -5.04 > 0 > 5 > -1 > 7.943560468398679 > 6.379986415578992 > -4.615374505071932 > 105.45000000000002 > 124.844 > 2 > 1 > 4.12e-03 g/l > 2-[(8aR,10aS)-4-hydroxy-8,8,10a-trimethyl-8a,9-dihydro-7H-xanthen-1-yl]-5,7-dihydroxy-3-methoxychromen-4-one > 0 > NP0030961 > ugonin I $$$$