92035057 CDK 0606221527 42 42 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 15.2253 2.0625 0.0000 C 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 15.9398 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 16.6542 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 17.3688 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 18.0832 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 18.7977 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 19.5122 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 20.2267 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 20.9412 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 6.6515 1.2375 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 4.5080 0.0000 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 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 5.9370 3.3001 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 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 23 1 0 0 0 0 1 24 1 0 0 0 0 2 23 2 0 0 0 0 3 31 1 0 0 0 0 3 40 1 0 0 0 0 4 30 1 0 0 0 0 5 36 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 20 22 1 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 25 27 1 0 0 0 0 25 29 2 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 26 31 2 0 0 0 0 27 30 2 0 0 0 0 27 36 1 0 0 0 0 28 32 1 0 0 0 0 29 31 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 37 1 0 0 0 0 34 35 1 0 0 0 0 35 38 1 0 0 0 0 38 39 2 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 M END > CHEBI:192329 > Hericene C > 2 > [4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ormyl-3-hydroxy-5-methoxyphenyl]methyl octadecanoate > C37H60O5 > 584.882 > 584.44408 > 0 > O(C(=O)CCCCCCCCCCCCCCCCC)CC=1C(=C(O)C(C/C=C(/CCC=C(C)C)\C)=C(OC)C1)C=O > InChI=1S/C37H60O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h22,25,27-28,40H,6-21,23-24,26,29H2,1-5H3/b31-25+ > MUPDKCFZUFURPT-QCKNELIISA-N $$$$