Mrv1652309022212322D 22 25 0 0 1 0 999 V2000 2.8119 1.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9745 0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3754 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2128 2.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1571 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3198 0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1015 -0.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7006 -0.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9189 -0.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2997 -0.6780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -0.4144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7990 -0.8190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -0.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3706 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1069 0.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9283 0.2581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2369 1.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0583 1.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5359 0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3553 0.3944 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1091 1.1818 0.0000 O 0 0 0 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 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 3 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 2 21 1 0 0 0 0 12 21 1 0 0 0 0 21 22 1 1 0 0 0 M END > NP0153819 > NP-MRD > OC1=CC=C2C(O[C@@H]3OC4=CC(O)=CC(O)=C4C(=O)[C@@]23O)=C1 > InChI=1S/C15H10O7/c16-6-1-2-8-10(4-6)21-14-15(8,20)13(19)12-9(18)3-7(17)5-11(12)22-14/h1-5,14,16-18,20H/t14-,15+/m1/s1 > ABUIAOWZMATLQK-CABCVRRESA-N > C15H10O7 > 302.238 > 302.042652662 > 7 > 32 > 28.5344726249851 > 1 > 4 > 0 > 1 > (1R,10R)-5,7,10,14-tetrahydroxy-2,17-dioxatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-3,5,7,11,13,15-hexaen-9-one > 1.27 > 2.1328223123333334 > -2.11 > 0 > 4 > 0 > 9.02563380914325 > 7.680680492630735 > -4.756677876662234 > 116.45000000000002 > 72.1543 > 0 > 1 > 2.36e+00 g/l > (1R,10R)-5,7,10,14-tetrahydroxy-2,17-dioxatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-3,5,7,11,13,15-hexaen-9-one > 0 > NP0153819 > (1r,10r)-5,7,10,14-tetrahydroxy-2,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-3,5,7,11,13,15-hexaen-9-one $$$$