131752515 CDK 0225221205 30 31 0 0 0 0 0 0 0 0999 V2000 4.5083 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6934 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0309 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0309 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6809 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5059 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9184 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5059 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1559 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9809 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3934 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2184 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6309 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6309 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4559 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8684 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 9 1 0 0 0 0 3 30 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 11 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 M END > CHEBI:189914 > Apo-10'-violaxanthal > 2 > (2Z,4Z,6E,8E,10E,12Z,14E)-15-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenal > C27H36O3 > 408.582 > 408.26645 > 0 > O1C2(C1(CC(O)CC2(C)C)C)/C=C/C(/C)=C\C=C\C(\C)=C\C=C\C=C(\C)/C=C\C=O > InChI=1S/C27H36O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-18,24,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10-,17-16+,21-11+,22-12-,23-14- > QZOYIQGWDBXSHB-AFMCRXATSA-N $$$$