Mrv1652309032219462D 32 36 0 0 1 0 999 V2000 -0.7484 -1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 -1.2829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6019 -1.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9521 -2.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7622 -2.2184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0323 -1.4389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8424 -1.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1124 -0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9226 -0.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4627 -0.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2728 -0.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5428 -0.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8129 -1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6230 -1.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8931 -0.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1631 -1.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8931 -2.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4332 -3.3098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0829 -2.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5428 -2.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7327 -2.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 -1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3825 -1.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1124 -2.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3023 -2.8421 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0323 -3.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2221 -3.7775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -3.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8719 -3.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3318 -2.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4783 -2.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 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 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 11 23 1 0 0 0 0 23 24 2 0 0 0 0 8 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 6 26 1 0 0 0 0 26 27 1 6 0 0 0 27 28 1 0 0 0 0 5 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 3 31 1 0 0 0 0 31 32 1 0 0 0 0 M END > NP0179568 > NP-MRD > COC1=CC(=CC=C1O)[C@H]1OC2=CC=C3C(=O)C4=C(O)C=C(O)C=C4OC3=C2O[C@@H]1CO > InChI=1S/C23H18O9/c1-29-16-6-10(2-4-13(16)26)21-18(9-24)32-23-15(30-21)5-3-12-20(28)19-14(27)7-11(25)8-17(19)31-22(12)23/h2-8,18,21,24-27H,9H2,1H3/t18-,21-/m1/s1 > VNTNHKPOVKPWIP-WIYYLYMNSA-N > C23H18O9 > 438.388 > 438.09508216 > 8 > 50 > 43.19692219905295 > 1 > 4 > 0 > 1 > (2R,3R)-7,9-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-3,10-dihydro-2H-1,4,5-trioxatetraphen-10-one > 3.208310760333334 > 0 > 5 > 0 > 9.07879480001692 > 7.545048490508923 > -2.9904936971336564 > 134.91000000000003 > 110.42490000000001 > 3 > 1 > (2R,3R)-7,9-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one > 0 > NP0179568 > (2r,3r)-7,9-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one $$$$