969488 CDK 0110240941 27 30 0 0 0 0 0 0 0 0999 V2000 2.2940 2.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4675 -2.6321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0392 -3.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6926 3.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3111 0.2485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9971 -0.1476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6830 0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5904 -0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0098 -0.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3111 1.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5841 -0.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2986 -1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 1.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9971 1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7637 -1.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9844 2.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2919 -2.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4038 1.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7770 -2.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0362 -2.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6956 2.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4101 2.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2848 3.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4766 -3.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3548 -3.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3770 3.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 23 1 0 0 0 0 2 19 1 0 0 0 0 2 24 1 0 0 0 0 3 20 1 0 0 0 0 3 25 1 0 0 0 0 4 21 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 27 1 1 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 15 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 15 19 1 0 0 0 0 16 21 2 0 0 0 0 17 20 1 0 0 0 0 18 22 2 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 M END > CHEBI:228865 > D-Tetrahydropalmatine > 2 > (13aR)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline > C21H25NO4 > 355.434 > 355.17836 > 0 > O(C=1C=2CN3[C@](CC2C=CC1OC)(C=4C(CC3)=CC(OC)=C(OC)C4)[H])C > InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m1/s1 > AEQDJSLRWYMAQI-QGZVFWFLSA-N > P4V $$$$