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Fatty acid esters
Description:
Carboxylic ester derivatives of a fatty acid.
Ancestors:
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MYRISTOYL-L-CARNITINECas Number: 25597-07-3Formula: C21H41NO4 Molecular Weight: 371.55SMILES: CCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)CInChIKey: PSHXNVGSVNEJBD-LJQANCHMSA-NInChI: InChI=1S/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h19H,5-18H2,1-4H3/t19-/m1/s1
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METHYL 9,10-DIBROMOSTEARATECas Number: 25456-04-6Formula: C19H36Br2O2 Molecular Weight: 456.2959SMILES: CCCCCCCCC(C(CCCCCCCC(=O)OC)Br)BrInChIKey: QNMTXFWVHQDSNR-UHFFFAOYSA-NInChI: InChI=1S/C19H36Br2O2/c1-3-4-5-6-8-11-14-17(20)18(21)15-12-9-7-10-13-16-19(22)23-2/h17-18H,3-16H2,1-2H3
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L-OCTANOYLCARNITINECas Number: 25243-95-2Formula: C15H29NO4 Molecular Weight: 287.4SMILES: CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)CInChIKey: CXTATJFJDMJMIY-CYBMUJFWSA-NInChI: InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1
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L-HexanoylcarnitineCas Number: 22671-29-0Formula: C13H25NO4 Molecular Weight: 259.34SMILES: CCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)CInChIKey: VVPRQWTYSNDTEA-LLVKDONJSA-NInChI: InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m1/s1
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Isopropyl IsostearateCas Number: 68171-33-5Formula: C21H42O2 Molecular Weight: 326.56SMILES: CC(C)CCCCCCCCCCCCCCC(=O)OC(C)CInChIKey: NEOZOXKVMDBOSG-UHFFFAOYSA-NInChI: InChI=1S/C21H42O2/c1-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-21(22)23-20(3)4/h19-20H,5-18H2,1-4H3
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Hexanoic acid,2-ethyl-, 1,1'-(oxydi-2,1-ethanediyl) esterCas Number: 72269-52-4Formula: C20H38O5 Molecular Weight: 358.5127SMILES: CCCCC(CC)C(=O)OCCOCCOC(=O)C(CC)CCCCInChIKey: GWQRPOCMBMQBTK-UHFFFAOYSA-NInChI: InChI=1S/C20H38O5/c1-5-9-11-17(7-3)19(21)24-15-13-23-14-16-25-20(22)18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3
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Hexyl 2-methylbutanoateCas Number: 10032-15-2 Compound CID: 24838Formula: C11H22O2 Molecular Weight: 186.29IUPAC Name: hexyl 2-methylbutanoateSMILES: CCCCCCOC(=O)C(C)CCInChIKey: YUECNVSODFDKOQ-UHFFFAOYSA-NInChI: InChI=1S/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3
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Hexanoic acid,2-ethylhexyl esterCas Number: 16397-75-4 Compound CID: 85994Formula: C14H28O2 Molecular Weight: 228.37IUPAC Name: 2-ethylhexyl hexanoateSMILES: CCCCCC(=O)OCC(CC)CCCCInChIKey: QRNFTMKPBPCPJO-UHFFFAOYSA-NInChI: InChI=1S/C14H28O2/c1-4-7-9-11-14(15)16-12-13(6-3)10-8-5-2/h13H,4-12H2,1-3H3
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Hexanoic acid,2-cyano-, ethyl esterCas Number: 7391-39-1Formula: C9H15NO2 Molecular Weight: 169.2209SMILES: CCCCC(C#N)C(=O)OCCInChIKey: YMUSKLAPOQSFAH-UHFFFAOYSA-NInChI: InChI=1S/C9H15NO2/c1-3-5-6-8(7-10)9(11)12-4-2/h8H,3-6H2,1-2H3
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Ethyl 3-(4-hydroxyphenyl)propanoateCas Number: 23795-02-0 Compound CID: 2736435Formula: C11H14O3 Molecular Weight: 194.23IUPAC Name: ethyl 3-(4-hydroxyphenyl)propanoateSMILES: CCOC(=O)CCC1=CC=C(C=C1)OInChIKey: UFMFPPAZUJDUMY-UHFFFAOYSA-NInChI: InChI=1S/C11H14O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7,12H,2,5,8H2,1H3
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Ethyl 3-(Methylamino)-2-butenoateCas Number: 870-85-9 Compound CID: 5369131Formula: C7H13NO2IUPAC Name: ethyl (E)-3-(methylamino)but-2-enoateSMILES: CCOC(=O)C=C(C)NCInChIKey: FARYTWBWLZAXNK-AATRIKPKSA-NInChI: InChI=1S/C7H13NO2/c1-4-10-7(9)5-6(2)8-3/h5,8H,4H2,1-3H3/b6-5+
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Ethyl (E)-5-phenylpent-2-enoateCas Number: 55282-95-6Formula: C13H16O2 Molecular Weight: 204.26SMILES: CCOC(=O)C=CCCC1=CC=CC=C1InChIKey: KODUAASIAODNCH-YRNVUSSQSA-NInChI: InChI=1S/C13H16O2/c1-2-15-13(14)11-7-6-10-12-8-4-3-5-9-12/h3-5,7-9,11H,2,6,10H2,1H3/b11-7+
