Mrv1533004191523162D 25 26 0 0 0 0 999 V2000 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -7.8375 0.0000 C 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 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 15 23 1 0 0 0 0 23 24 2 0 0 0 0 20 25 1 0 0 0 0 M END > NP0328515 > NP-MRD > CC1=C(O)C(=O)C(COCC2=C(C)C(=O)C(C)=C(O)C2=O)=C(C)C1=O > InChI=1S/C18H18O7/c1-7-11(17(23)15(21)9(3)13(7)19)5-25-6-12-8(2)14(20)10(4)16(22)18(12)24/h21-22H,5-6H2,1-4H3 > ZCELHYIKICOTMW-UHFFFAOYSA-N > C18H18O7 > 346.335 > 346.10525292 > 7 > 43 > 34.64369382762158 > 1 > 2 > 0 > 1 > 2-hydroxy-6-{[(5-hydroxy-2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methoxy]methyl}-3,5-dimethylcyclohexa-2,5-diene-1,4-dione > 1.22 > 1.9843764550000005 > -3.99 > 0 > 2 > -2 > 5.988278970010686 > 5.289292437131326 > -4.187900689026019 > 117.97 > 92.17429999999999 > 4 > 1 > 3.58e-02 g/l > 2-hydroxy-6-{[(5-hydroxy-2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methoxy]methyl}-3,5-dimethylcyclohexa-2,5-diene-1,4-dione > 0 > NP0328515 > 2-hydroxy-6-{[(5-hydroxy-2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methoxy]methyl}-3,5-dimethylcyclohexa-2,5-diene-1,4-dione $$$$