KEGG COMPOUND: C13798

COMPOUND: C13798

Entry

C13798                      Compound

Name

8-(5-Hexyl-furan-2-yl)-octanoic acid;
8-(5-Hexyl-furan-2-yl)-octanoate

Formula

C18H30O3

Exact mass

294.2195

Mol weight

294.429

Structure

Brite

Lipids [BR:br08002]
FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0115 Heterocyclic fatty acids
    C13798  8-(5-Hexyl-furan-2-yl)-octanoic acid

Other DBs

PubChem:

ChEBI:

LIPIDMAPS:

3DMET:

NIKKAJI:

LinkDB

KCF data

ATOM        21
            1   O6a O    18.7234  -18.1915
            2   C6a C    19.9241  -17.4983
            3   C1b C    21.1248  -18.1915
            4   C1b C    22.3255  -17.4983
            5   C1b C    23.5261  -18.1915
            6   C1b C    24.7269  -17.4983
            7   C1b C    25.9276  -18.1915
            8   C1b C    27.1282  -17.4983
            9   C1b C    28.3290  -18.1915
            10  C8y C    29.5296  -17.4983
            11  O2x O    30.7304  -18.1915
            12  C8y C    31.9311  -17.4983
            13  C1b C    33.1317  -18.1915
            14  C1b C    34.3325  -17.4983
            15  C1b C    35.5331  -18.1915
            16  C1b C    36.7338  -17.4983
            17  C1b C    37.9345  -18.1915
            18  C1a C    39.1352  -17.4983
            19  O6a O    19.9241  -16.1119
            20  C8x C    31.5711  -16.1580
            21  C8x C    29.9073  -16.1580
BOND        21
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18    2  19 2
            19   12  20 2
            20   10  21 2
            21   21  20 1

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