Mrv1652309092222462D 26 29 0 0 1 0 999 V2000 6.6626 4.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8780 3.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7064 3.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8995 3.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5134 2.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5349 2.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0869 1.6579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6744 0.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9294 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3773 -0.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 -0.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 0.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8675 1.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.9354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3523 1.1104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -0.1271 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 1.1387 0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 3.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 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 2 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 6 14 2 0 0 0 0 14 15 1 0 0 0 0 16 15 1 6 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 20 24 1 6 0 0 0 24 25 1 0 0 0 0 16 25 1 0 0 0 0 25 26 2 0 0 0 0 M END > NP0290205 > NP-MRD > CC(C)(C=C)C1=C(C[C@@H]2N=C(O)[C@@H]3CCCN3C2=O)C2=CC=CC=C2N1 > InChI=1S/C21H25N3O2/c1-4-21(2,3)18-14(13-8-5-6-9-15(13)22-18)12-16-20(26)24-11-7-10-17(24)19(25)23-16/h4-6,8-9,16-17,22H,1,7,10-12H2,2-3H3,(H,23,25)/t16-,17-/m0/s1 > KUGNSEAHJVSMAJ-IRXDYDNUSA-N > C21H25N3O2 > 351.45 > 351.194677057 > 3 > 51 > 38.76125808685311 > 1 > 2 > 0 > 1 > (3S,8aS)-1-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-3H,4H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-4-one > 3.379958143666667 > 0 > 4 > 0 > 15.496210738549216 > 4.850726019846283 > 1.5178263049518197 > 68.69 > 101.6996 > 4 > 1 > (3S,8aS)-1-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-3H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-4-one > 0 > NP0290205 > (3s,8as)-1-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one $$$$