CDK 1030232202 27 27 0 0 0 0 0 0 0 0999 V2000 5.7159 2.0625 0.0000 O 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 5.0014 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 0.8250 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 6.4304 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -1.2375 0.0000 O 0 0 0 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 6.4304 -1.6500 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 3.5724 0.8250 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 2.8579 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1435 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 3.3001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7310 4.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 4.0145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9404 3.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2705 4.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 4.0145 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 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 18 17 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 1 0 0 0 22 20 1 0 0 0 0 22 23 1 0 0 0 0 24 22 1 0 0 0 0 22 25 1 1 0 0 0 24 26 1 6 0 0 0 26 27 2 0 0 0 0 23 24 1 0 0 0 0 M END > CHEBI:220761 > Cis-haliangicin > 2 > methyl (2E,4Z,6Z,8E,10R)-11-[(2S,3R)-3-ethenyl-2-methyloxiran-2-yl]-3,4-dimethoxy-6,9,10-trimethylundeca-2,4,6,8-tetraenoate > C22H32O5 > 376.493 > 376.22497 > 0 > O=C(OC)/C=C(/OC)\C(\OC)=C\C(=C/C=C(/[C@@H](C[C@@]1(O[C@@H]1C=C)C)C)\C)\C > InChI=1S/C22H32O5/c1-9-20-22(5,27-20)14-17(4)16(3)11-10-15(2)12-18(24-6)19(25-7)13-21(23)26-8/h9-13,17,20H,1,14H2,2-8H3/b15-10-,16-11+,18-12-,19-13+/t17-,20-,22+/m1/s1 > XIKGETOZQXNXHV-SHBHEWNNSA-N $$$$