Mrv1533004161503502D 24 26 0 0 0 0 999 V2000 5.2520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4452 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4733 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -1.0164 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 2 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 2 0 0 0 0 6 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 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 9 21 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 10 23 2 0 0 0 0 4 23 1 0 0 0 0 23 24 1 0 0 0 0 M END > NP0276501 > NP-MRD > CC(C)C1=CC(C=O)=C2C(OC(O)C3C(C)(C)CCCC23C)=C1O > InChI=1S/C20H28O4/c1-11(2)13-9-12(10-21)14-16(15(13)22)24-18(23)17-19(3,4)7-6-8-20(14,17)5/h9-11,17-18,22-23H,6-8H2,1-5H3 > WICUQKGNEKIQJS-UHFFFAOYSA-N > C20H28O4 > 332.44 > 332.198759382 > 4 > 52 > 37.47386327233478 > 1 > 2 > 0 > 1 > 4,6-dihydroxy-7,7,10a-trimethyl-3-(propan-2-yl)-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromene-1-carbaldehyde > 4.05 > 4.439919906999998 > -3.69 > 0 > 3 > 0 > 11.993352811645316 > 8.244731659062298 > -4.148194054102544 > 66.76 > 94.19139999999999 > 2 > 1 > 6.77e-02 g/l > 4,6-dihydroxy-3-isopropyl-7,7,10a-trimethyl-6H,6aH,8H,9H,10H-benzo[c]isochromene-1-carbaldehyde > 0 > NP0276501 > 4,6-dihydroxy-3-isopropyl-7,7,10a-trimethyl-6h,6ah,8h,9h,10h-benzo[c]isochromene-1-carbaldehyde $$$$