Ketcher 07311622422D 1 1.00000 0.00000 0 16 15 0 0 0 999 V2000 12.0477 -30.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0477 -31.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1815 -29.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1815 -31.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3154 -30.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3154 -31.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9137 -29.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7797 -30.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9137 -31.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7797 -31.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6458 -29.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5117 -30.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6457 -31.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5117 -31.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3777 -29.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3774 -31.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 6 5 1 0 0 0 7 1 1 0 0 0 8 7 1 0 0 0 9 2 1 0 0 0 10 9 1 0 0 0 11 8 1 0 0 0 12 11 1 0 0 0 13 10 1 0 0 0 14 13 1 0 0 0 15 12 1 0 0 0 16 14 1 0 0 0 M END > CHEBI:45296 > hexadecane > A straight-chain alkane with 16 carbon atoms. It is a component of essential oil isolated from long pepper. > 3 > CHEBI:45292; CHEBI:32910 > Zetan; n-hexadecane; n-cetane; Hexadekan; hexadecane; HEXADECANE; CH3-[CH2]14-CH3; cetane; Cetan > hexadecane > C16H34 > 226.442 > 226.26605 > 0 > C(CCCCCCCCCC)CCCCC > InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3 > DCAYPVUWAIABOU-UHFFFAOYSA-N > 1736592 > 544-76-3 > 103739 > 1736592 > 544-76-3 > 544-76-3 > R16 > Hexadecane > 17314143; 19114507; 205235; 24657864; 24765642; 2480087; 27439360 $$$$