KEGG   COMPOUND: C11887Help
Entry
C11887                      Compound                               

Name
Abietal;
Abietaldehyde;
Abietinal;
Abieta-7,13-dien-18-al;
(1R,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carbaldehyde
Formula
C20H30O
Exact mass
286.2297
Mol weight
286.4516
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00904  Diterpenoid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.2.1.74        1.14.14.145
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0104 C20 isoprenoids (diterpenes)
    PR010405 Abietane diterpenoids
     C11887  Abietal
BRITE hierarchy
Other DBs
CAS: 6704-50-3
PubChem: 14049
ChEBI: 29509
ChEMBL: CHEMBL563793
KNApSAcK: C00000869
3DMET: B04366
NIKKAJI: J15.229C
KCF data Show

ATOM        21
            1   C1z C    23.7111  -22.8737
            2   C4a C    23.1337  -24.2216
            3   C1a C    24.3421  -24.5016
            4   O4a O    21.9901  -24.5773
            5   C2y C    28.5896  -18.6792
            6   C1x C    26.1563  -18.6697
            7   C1x C    27.3852  -17.9835
            8   C1y C    26.1565  -20.0721
            9   C1x C    26.1443  -22.8952
            10  C2x C    27.3713  -22.1877
            11  C1c C    29.7944  -17.9774
            12  C1y C    24.9412  -22.1908
            13  C1z C    24.9537  -20.7819
            14  C1x C    23.7503  -20.0557
            15  C1x C    22.4503  -20.7459
            16  C1x C    22.5006  -22.1548
            17  C1a C    24.9412  -19.3762
            18  C2x C    28.5793  -20.0613
            19  C2y C    27.3713  -20.7537
            20  C1a C    29.7875  -16.5787
            21  C1a C    30.9883  -18.6627
BOND        23
            1     2   4 2
            2     1   2 1 #Down
            3     1   3 1 #Up
            4    13  14 1
            5    14  15 1
            6    15  16 1
            7    16   1 1
            8     1  12 1
            9    13   8 1
            10    8  19 1
            11    7   6 1
            12    5  11 1
            13   13  17 1 #Up
            14    5  18 2
            15    8   6 1
            16   18  19 1
            17   12   9 1
            18   11  20 1
            19    5   7 1
            20   11  21 1
            21    9  10 1
            22   19  10 2
            23   12  13 1

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