CDK 1029232202 36 41 0 0 0 0 0 0 0 0999 V2000 4.4630 5.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1775 6.3952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4630 5.1577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1775 7.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8919 5.9827 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1775 4.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7485 4.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8919 7.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4630 7.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6064 6.3952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8919 5.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1775 3.9202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7485 3.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8919 4.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4630 3.5077 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8919 3.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4630 2.6827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8225 3.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8919 2.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8499 2.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1775 2.2703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6723 2.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0294 2.0445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1854 1.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0059 1.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 6 0 0 0 2 4 1 6 0 0 0 5 2 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 10 1 6 0 0 0 5 11 1 0 0 0 0 12 6 1 0 0 0 0 7 13 1 0 0 0 0 12 14 1 1 0 0 0 15 12 1 0 0 0 0 12 16 1 0 0 0 0 17 15 1 0 0 0 0 15 18 1 6 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 21 17 1 0 0 0 0 17 22 1 1 0 0 0 20 23 1 0 0 0 0 20 24 2 0 0 0 0 21 25 1 1 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 33 36 2 0 0 0 0 6 11 2 0 0 0 0 13 15 1 0 0 0 0 19 21 1 0 0 0 0 24 25 1 0 0 0 0 26 27 2 0 0 0 0 30 31 1 0 0 0 0 M END > CHEBI:203524 > Sulpinine B > 2 > (1S,2R,5S,7R,8R,11S,14S)-1,2-dimethyl-20-(2-methylbut-3-en-2-yl)-7-prop-1-en-2-yl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17(22),18,20-pentaene-8,11-diol > C32H41NO3 > 487.684 > 487.30864 > 0 > O1[C@H](C(=C)C)[C@H](O)C=C2[C@@H]1CC[C@]3([C@@]2(O)CC[C@@H]4[C@@]3(C=5NC=6C=C(C(C=C)(C)C)C=CC6C5C4)C)C > InChI=1S/C32H41NO3/c1-8-29(4,5)19-9-10-21-22-15-20-11-14-32(35)23-17-25(34)27(18(2)3)36-26(23)12-13-30(32,6)31(20,7)28(22)33-24(21)16-19/h8-10,16-17,20,25-27,33-35H,1-2,11-15H2,3-7H3/t20-,25+,26-,27+,30+,31+,32+/m0/s1 > XPYLFGPDHCCOLE-IDNFIPLESA-N $$$$