CDK 1030232200 27 28 0 0 0 0 0 0 0 0999 V2000 11.7502 -0.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4145 0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8995 0.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5941 0.2775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5639 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0420 -0.3355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1815 0.9920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2883 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6295 1.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3746 0.8205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5738 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5676 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0014 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -0.4125 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 4.2870 -1.2375 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 2.1435 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 2 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 1.4290 -1.2375 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 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 7 9 1 1 0 0 0 10 7 1 0 0 0 0 8 11 1 1 0 0 0 10 12 1 6 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 16 15 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 24 23 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 1 0 0 0 25 27 1 0 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 M END > CHEBI:208658 > Penitalarin A > 2 > methyl (1S,2R,4S,5R)-5-methyl-4-[(1E,3E,5R,7E,9E,11S)-5,7,11-trimethyltrideca-1,3,7,9-tetraenyl]-3,6-dioxabicyclo[3.1.0]hexane-2-carboxylate > C23H34O4 > 374.521 > 374.24571 > 0 > O=C(OC)[C@@H]1O[C@@H](/C=C/C=C/[C@@H](C/C(=C/C=C/[C@H](CC)C)/C)C)[C@@]2([C@H]1O2)C > InChI=1S/C23H34O4/c1-7-16(2)12-10-13-18(4)15-17(3)11-8-9-14-19-23(5)21(27-23)20(26-19)22(24)25-6/h8-14,16-17,19-21H,7,15H2,1-6H3/b11-8+,12-10+,14-9+,18-13+/t16-,17-,19-,20+,21-,23+/m0/s1 > MZRAWKILROXKNJ-AJJQXUGXSA-N $$$$