Ketcher 04221615392D 1 1.00000 0.00000 0 14 13 0 0 0 999 V2000 7.7632 -3.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7632 -4.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8971 -3.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8971 -5.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0310 -3.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0310 -4.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4953 -3.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4953 -4.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6293 -3.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6293 -5.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3672 -3.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2265 -3.6901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3805 -2.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3615 -5.1667 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 9 7 1 0 0 0 10 8 1 0 0 0 1 9 1 0 0 0 2 10 1 0 0 0 7 11 1 0 0 0 11 12 1 0 0 0 11 13 2 0 0 0 8 14 1 0 0 0 M CHG 1 12 -1 M END > CHEBI:18262 > dodecanoate > A medium-chain fatty acid anion that is the conjugate base of dodecanoic acid (lauric acid); major species at pH 7.3. > 3 > CHEBI:14187; CHEBI:23863 > vulvate; undecane-1-carboxylate; n-dodecanoate; laurostearate; laurate; duodecylate; duodecyclate; dodecylate; dodecoate; dodecanoate; CH3-[CH2]10-COO(-); C12 fatty acid anion; 1-undecanecarboxylate > dodecanoate > C12H23O2 > 199.310 > 199.17035 > -1 > C(CCCCCCCC)CCC([O-])=O > InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/p-1 > POULHZVOKOAJMA-UHFFFAOYSA-M > 3588839 > 333430 > 3588839 > C02679 > DODECANOATE $$$$