Mrv1652309082207002D 25 27 0 0 0 0 999 V2000 1.1901 2.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 2.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0474 3.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0474 1.6060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8724 1.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2849 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8724 0.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0474 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1901 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6026 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1901 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6026 -1.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5437 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2957 -0.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2957 0.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1099 0.8915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5224 1.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3474 1.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7599 2.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1099 2.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5224 3.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2849 2.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8724 3.0349 0.0000 O 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 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 12 14 1 0 0 0 0 8 14 1 0 0 0 0 14 15 1 0 0 0 0 9 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 6 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 5 24 1 0 0 0 0 24 25 1 0 0 0 0 M END > NP0262286 > NP-MRD > CC(=O)OC1C(O)C(O)C(CO)OC1OC1C2CC=C(C)C1C2(C)C > InChI=1S/C18H28O7/c1-8-5-6-10-15(12(8)18(10,3)4)25-17-16(23-9(2)20)14(22)13(21)11(7-19)24-17/h5,10-17,19,21-22H,6-7H2,1-4H3 > RVMGGXLVAQJVDV-UHFFFAOYSA-N > C18H28O7 > 356.415 > 356.183503242 > 6 > 53 > 37.50475970720432 > 1 > 3 > 0 > 1 > 4,5-dihydroxy-6-(hydroxymethyl)-2-({2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl}oxy)oxan-3-yl acetate > 0.24114014399999886 > 0 > 3 > 0 > 14.017543053213899 > 12.695663244302786 > -2.981084190610627 > 105.45000000000002 > 87.8026 > 5 > 1 > 4,5-dihydroxy-6-(hydroxymethyl)-2-({2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl}oxy)oxan-3-yl acetate > 0 > NP0262286 > 4,5-dihydroxy-6-(hydroxymethyl)-2-({2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl}oxy)oxan-3-yl acetate $$$$