Mrv1652309122217012D 23 25 0 0 0 0 999 V2000 7.0714 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0714 2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3569 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3569 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6424 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6424 -0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9279 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 0.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9279 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6424 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6424 3.1729 0.0000 C 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 5 6 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 11 16 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 13 20 1 0 0 0 0 7 21 1 0 0 0 0 21 22 2 0 0 0 0 3 22 1 0 0 0 0 22 23 1 0 0 0 0 M END > NP0330036 > NP-MRD > COC1=CC(O)=C(CCCC2=CC3=C(OCO3)C=C2O)C=C1C > InChI=1S/C18H20O5/c1-11-6-12(14(19)8-16(11)21-2)4-3-5-13-7-17-18(9-15(13)20)23-10-22-17/h6-9,19-20H,3-5,10H2,1-2H3 > FJKDKGIGQHDXSZ-UHFFFAOYSA-N > C18H20O5 > 316.353 > 316.131073744 > 5 > 43 > 34.01287056787417 > 1 > 2 > 0 > 1 > 6-[3-(2-hydroxy-4-methoxy-5-methylphenyl)propyl]-2H-1,3-benzodioxol-5-ol > 4.3260301210000005 > 0 > 3 > 0 > 10.386153978353775 > 9.779283544966662 > -4.476712650075206 > 68.15 > 86.23030000000003 > 5 > 1 > 6-[3-(2-hydroxy-4-methoxy-5-methylphenyl)propyl]-2H-1,3-benzodioxol-5-ol > 0 > NP0330036 > 6-[3-(2-hydroxy-4-methoxy-5-methylphenyl)propyl]-2h-1,3-benzodioxol-5-ol $$$$