Mrv1652304282211372D 24 27 0 0 1 0 999 V2000 1.2419 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6396 -1.0648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8266 -0.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5924 1.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1948 0.4581 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0077 -0.3455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2183 -0.5852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0313 -1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8178 -0.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1679 0.5576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2165 -0.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6528 -1.5141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9057 -1.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8087 -2.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5558 -2.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4537 -3.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6436 -3.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2450 -2.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 0.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0301 -0.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5594 0.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1498 -1.3045 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 1 0 0 0 0 4 5 2 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 4 1 1 0 0 0 9 10 1 0 0 0 0 1 10 1 0 0 0 0 8 11 1 1 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 8 15 1 0 0 0 0 14 16 1 6 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 16 20 1 0 0 0 0 7 21 1 1 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 2 24 1 1 0 0 0 M END > NP0065399 > NP-MRD > C[C@@H]1CC=C2[C@H](CC[C@@H](O)C2(C)C)[C@@]11C[C@H](OC1=O)C1=COC=C1 > InChI=1S/C20H26O4/c1-12-4-5-14-15(6-7-17(21)19(14,2)3)20(12)10-16(24-18(20)22)13-8-9-23-11-13/h5,8-9,11-12,15-17,21H,4,6-7,10H2,1-3H3/t12-,15+,16+,17-,20-/m1/s1 > WVRDZXWBGHINPN-QLKOVTILSA-N > C20H26O4 > 330.424 > 330.183109317 > 2 > 50 > 35.83412475131653 > 1 > 1 > 0 > 1 > (1R,2R,5'S,6R,8aS)-5'-(furan-3-yl)-6-hydroxy-2,5,5-trimethyl-3,5,6,7,8,8a-hexahydro-2H-spiro[naphthalene-1,3'-oxolane]-2'-one > 4.15 > 3.280162070333332 > -3.87 > 0 > 4 > 0 > 19.408455586151486 > -0.8663954652152758 > 59.67 > 90.61540000000001 > 1 > 1 > 4.45e-02 g/l > (1R,2R,5'S,6R,8aS)-5'-(furan-3-yl)-6-hydroxy-2,5,5-trimethyl-2,3,6,7,8,8a-hexahydrospiro[naphthalene-1,3'-oxolane]-2'-one > 0 > NP0065399 > 3alpha-Hydroxy-5,6-dehydrochiliolide $$$$