Mrv1652309032209462D 14 15 0 0 1 0 999 V2000 -0.1781 -3.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 -2.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 -0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 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 1 0 0 0 0 13 14 1 0 0 0 0 14 9 1 6 0 0 0 4 14 1 0 0 0 0 M END > NP0171313 > NP-MRD > OC1=C2C=CCO[C@@H]2[C@H](CC=C)C1=O > InChI=1S/C11H12O3/c1-2-4-7-9(12)10(13)8-5-3-6-14-11(7)8/h2-3,5,7,11,13H,1,4,6H2/t7-,11-/m1/s1 > MEGIWLXMJIJNNJ-RDDDGLTNSA-N > C11H12O3 > 192.214 > 192.078644246 > 3 > 26 > 19.645267573930667 > 1 > 1 > 0 > 1 > (7S,7aR)-5-hydroxy-7-(prop-2-en-1-yl)-2H,6H,7H,7aH-cyclopenta[b]pyran-6-one > 0.59 > 1.2275327836666665 > -1.26 > 0 > 2 > 0 > 8.78164766490685 > -3.8871673112942906 > 46.53 > 54.754400000000004 > 2 > 1 > 1.05e+01 g/l > (7S,7aR)-5-hydroxy-7-(prop-2-en-1-yl)-2H,7H,7aH-cyclopenta[b]pyran-6-one > 0 > NP0171313 > (7s,7ar)-5-hydroxy-7-(prop-2-en-1-yl)-2h,7h,7ah-cyclopenta[b]pyran-6-one $$$$