Mrv1652309072217162D 30 33 0 0 1 0 999 V2000 -0.1007 -1.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5878 -1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6248 -0.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0202 -0.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4201 -0.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8746 -1.0076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6996 -1.0076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1541 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8642 0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0503 0.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9493 -0.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9864 -1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6749 -1.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 -1.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0304 -2.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6754 -2.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2871 -2.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5438 -2.4569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8988 -2.9713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0217 -3.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3767 -4.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7897 -4.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9127 -4.9043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6806 -5.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8036 -6.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1586 -6.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2815 -7.3516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3906 -6.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2677 -5.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3602 -1.6526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 8 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 7 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 23 29 1 0 0 0 0 18 30 1 0 0 0 0 30 2 1 6 0 0 0 6 30 1 0 0 0 0 M END > NP0251920 > NP-MRD > CC1=C2[C@@H]([C@@H]3OC(=O)C(=C)[C@H]3[C@H](C1)OC(=O)CC1=CC=C(O)C=C1)C(CO)=CC2=O > InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,17,20-22,24-25H,2,7-8,10H2,1H3/t17-,20-,21-,22+/m0/s1 > UMVSOHBRAQTGQI-AGOPTVSRSA-N > C23H22O7 > 410.422 > 410.136553048 > 5 > 52 > 41.6521767053399 > 1 > 2 > 0 > 1 > (3aS,4S,9aS,9bS)-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate > 1.954158788666667 > 0 > 4 > 0 > 13.000745721819019 > 9.496287755861692 > -2.7605641572173 > 110.13000000000001 > 107.7194 > 5 > 1 > (3aS,4S,9aS,9bS)-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-4-yl (4-hydroxyphenyl)acetate > 0 > NP0251920 > (3as,4s,9as,9bs)-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate $$$$