11152244 CDK 0602212312 26 28 0 0 0 0 0 0 0 0999 V2000 4.0543 -1.1985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8278 0.5691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9188 -2.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9583 -1.6584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8113 1.9979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9188 -0.1589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0938 -0.1589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5063 -1.4285 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1738 -0.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8389 -0.9435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3599 0.5786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6527 0.5786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9360 1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0766 1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7438 -0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8389 -1.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1738 -1.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1848 0.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0938 -2.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0319 -2.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4071 1.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5821 1.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1615 1.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5656 2.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3970 -0.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 12 2 1 1 0 0 0 2 21 1 0 0 0 0 3 17 1 0 0 0 0 3 19 1 0 0 0 0 4 17 2 0 0 0 0 5 21 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 15 1 6 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 26 1 6 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 6 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 16 19 1 0 0 0 0 16 20 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 24 25 1 0 0 0 0 M END > CHEBI:175446 > Bakkenolide C > 2 > [(2R,3R,3aS,4S,7S,7aR)-3-hydroxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] (Z)-2-methylbut-2-enoate > C20H28O5 > 348.439 > 348.19367 > 0 > O[C@@H]1[C@@]2([C@](C[C@@]13C(COC3=O)=C)([C@H](CC[C@@H]2OC(=O)/C(/C)=C\C)C)C)[H] > InChI=1S/C20H28O5/c1-6-11(2)17(22)25-14-8-7-12(3)19(5)10-20(16(21)15(14)19)13(4)9-24-18(20)23/h6,12,14-16,21H,4,7-10H2,1-3,5H3/b11-6-/t12-,14-,15+,16+,19+,20+/m0/s1 > KVPXGWXTEOVUGO-HKTLJSNGSA-N $$$$