ChEBI 12 11 0 0 0 0 0 0 0 0 1 V2000 3.5884 -4.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7456 -5.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9027 -4.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0598 -5.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2170 -4.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4127 -5.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5312 -4.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6884 -5.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8455 -4.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0026 -5.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1597 -4.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7456 -6.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 12 2 2 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 M END > CHEBI:17700 > undecan-2-one > A dialkyl ketone with methyl and nonyl as the two alkyl groups. > 3 > CHEBI:11658; CHEBI:1280; CHEBI:19792 > Undecan-2-one; rue ketone; Methyl nonyl ketone; 2-undecanone; 2-Undecanone; 2-Hendecanone; 2-hendecanone > undecan-2-one > C11H22O > 170.29178 > 170.16707 > 0 > CCCCCCCCCC(C)=O > InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3 > KYWIYKKSMDLRDC-UHFFFAOYSA-N > 112-12-9 > 1749573 > 112-12-9 > DB08688 > C01875 > C00030758 > LMFA12000002 > 2-UNDECANONE > 112-12-9 > UOC > 2-Undecanone > 17453350; 20931852; 21366058; 21738794; 23292923 $$$$