50925563 CDK 0510212310 40 40 0 0 0 0 0 0 0 0999 V2000 8.0804 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 3.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 3.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 21 2 0 0 0 0 3 28 1 0 0 0 0 3 38 1 0 0 0 0 4 27 1 0 0 0 0 5 35 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 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 23 25 1 0 0 0 0 23 29 2 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 24 28 2 0 0 0 0 25 27 2 0 0 0 0 25 35 1 0 0 0 0 26 31 1 0 0 0 0 28 29 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 30 34 1 0 0 0 0 32 33 1 0 0 0 0 33 36 1 0 0 0 0 36 37 2 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 M END > CHEBI:172742 > Hericene A > 2 > [4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ormyl-3-hydroxy-5-methoxyphenyl]methyl hexadecanoate > C35H56O5 > 556.828 > 556.41277 > 0 > O(C(=O)CCCCCCCCCCCCCCC)CC=1C(=C(O)C(C\C=C(\CCC=C(C)C)/C)=C(OC)C1)C=O > InChI=1S/C35H56O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34(37)40-27-30-25-33(39-5)31(35(38)32(30)26-36)24-23-29(4)21-19-20-28(2)3/h20,23,25-26,38H,6-19,21-22,24,27H2,1-5H3/b29-23+ > PLUINHYLFTYIKB-BYNJWEBRSA-N $$$$