Mrv1652309092213002D 39 45 0 0 1 0 999 V2000 4.4991 4.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1057 3.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8932 4.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4999 3.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2874 3.8361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3190 2.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5315 2.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9248 3.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5219 1.7146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8489 1.2374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6867 2.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8673 2.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3902 2.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5687 2.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0916 3.4114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2245 1.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7016 1.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 1.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1297 0.8333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1201 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8297 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5490 -0.0083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2586 -0.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5585 0.8167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3674 0.9788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3573 0.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8345 -0.1071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5359 0.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1916 -0.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3702 -0.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 0.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2373 1.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2398 1.7585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0587 1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9259 2.5850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3035 1.4506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7961 2.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6211 2.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 2 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 6 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 12 18 1 0 0 0 0 19 18 1 6 0 0 0 10 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 6 0 0 0 22 24 1 0 0 0 0 10 24 1 0 0 0 0 24 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 28 34 1 0 0 0 0 34 35 1 0 0 0 0 16 35 1 0 0 0 0 35 36 2 0 0 0 0 9 37 1 0 0 0 0 37 38 1 0 0 0 0 6 38 1 0 0 0 0 38 39 2 0 0 0 0 M END > NP0283654 > NP-MRD > CC1=CC(O)=C2C(=O)O[C@@H](C2=C1)[C@]12CC3=CC(O)=C4C(=O)C5=C(O)C=CC=C5C(=O)C4=C3[C@H]1C=C[C@@H](O)[C@H]2O > InChI=1S/C30H22O9/c1-11-7-14-22(18(33)8-11)29(38)39-28(14)30-10-12-9-19(34)23-24(20(12)15(30)5-6-17(32)27(30)37)25(35)13-3-2-4-16(31)21(13)26(23)36/h2-9,15,17,27-28,31-34,37H,10H2,1H3/t15-,17-,27-,28+,30-/m1/s1 > FWHRHQWEGRLEBF-QKXMQONGSA-N > C30H22O9 > 526.497 > 526.126382288 > 8 > 61 > 51.80381104115031 > 0 > 5 > 0 > 0 > (3R,6R,7S,8R)-6,7,12,16-tetrahydroxy-8-[(1S)-4-hydroxy-6-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl]pentacyclo[11.8.0.0^{2,10}.0^{3,8}.0^{15,20}]henicosa-1,4,10,12,15,17,19-heptaene-14,21-dione > 5.092407972666667 > 0 > 7 > 0 > 8.466339096781189 > 7.827344238427251 > -3.317102632720421 > 161.59 > 139.64929999999998 > 1 > 0 > (3R,6R,7S,8R)-6,7,12,16-tetrahydroxy-8-[(1S)-4-hydroxy-6-methyl-3-oxo-1H-2-benzofuran-1-yl]pentacyclo[11.8.0.0^{2,10}.0^{3,8}.0^{15,20}]henicosa-1,4,10,12,15,17,19-heptaene-14,21-dione > 0 > NP0283654 > rubellin c $$$$