KEGG   COMPOUND: C16340
Entry
C16340                      Compound                               
Name
beta-Isorenieratene
Formula
C40H52
Exact mass
532.4069
Mol weight
532.8409
Structure
Reaction
Pathway
map00906  Carotenoid biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0107 C40 isoprenoids (tetraterpenes)
    C16340  beta-Isorenieratene
Other DBs
PubChem: 47205648
ChEBI: 80461
LIPIDMAPS: LMPR01070123
KNApSAcK: C00022804
NIKKAJI: J2.802.290E
LinkDB
KCF data

ATOM        40
            1   C8y C    23.3145  -22.6487
            2   C8x C    23.3145  -24.0498
            3   C8x C    24.5278  -24.7503
            4   C8y C    25.7412  -24.0498
            5   C8y C    25.7412  -22.6487
            6   C8y C    24.5278  -21.9482
            7   C2b C    26.9564  -21.9482
            8   C2b C    28.1697  -22.6487
            9   C2c C    29.3831  -21.9482
            10  C2b C    30.5964  -22.6487
            11  C2b C    31.8098  -21.9482
            12  C2b C    33.0232  -22.6487
            13  C2c C    34.2365  -21.9482
            14  C2b C    35.4499  -22.6487
            15  C2b C    36.6632  -21.9482
            16  C2b C    37.8766  -22.6487
            17  C2b C    39.0900  -21.9482
            18  C2c C    40.3033  -22.6487
            19  C2b C    41.5166  -21.9482
            20  C2b C    42.7301  -22.6487
            21  C2b C    43.9434  -21.9482
            22  C2c C    45.1567  -22.6487
            23  C2b C    46.3701  -21.9482
            24  C2b C    47.5835  -22.6487
            25  C2y C    48.7968  -21.9482
            26  C1z C    50.0281  -22.6487
            27  C1x C    51.2370  -21.9406
            28  C1x C    51.2281  -20.5395
            29  C1x C    49.9968  -19.8390
            30  C2y C    48.8346  -20.5471
            31  C1a C    49.0474  -23.6295
            32  C1a C    51.0089  -23.6295
            33  C1a C    47.6070  -19.8356
            34  C1a C    45.1567  -24.0498
            35  C1a C    40.3033  -24.0498
            36  C1a C    34.2365  -20.5471
            37  C1a C    29.3831  -20.5471
            38  C1a C    26.9560  -24.7511
            39  C1a C    24.5272  -20.5803
            40  C1a C    22.1124  -21.9550
BOND        41
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   29  30 1
            31   25  30 2
            32   26  31 1
            33   26  32 1
            34   30  33 1
            35   22  34 1
            36   18  35 1
            37   13  36 1
            38    9  37 1
            39    4  38 1
            40    6  39 1
            41    1  40 1

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