KEGG   COMPOUND: C08636
Entry
C08636                      Compound                               

Name
Taraxasterol
Formula
C30H50O
Exact mass
426.3862
Mol weight
426.7174
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0106 C30 isoprenoids (triterpenes)
    PR010618 Taraxastane, ursane and bauerane triterpenoids
     C08636  Taraxasterol
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C08636  Taraxasterol
Other DBs
CAS: 1059-14-9
PubChem: 10829
ChEBI: 9401
ChEMBL: CHEMBL497525
LIPIDMAPS: LMPR0106180006
KNApSAcK: C00003757
3DMET: B02289
NIKKAJI: J7.231A
KCF data

ATOM        31
            1   C1z C    26.0342  -17.0748
            2   C1z C    27.2424  -16.3801
            3   C1y C    24.8259  -16.3626
            4   C1x C    26.0342  -18.4758
            5   C1a C    26.5766  -15.6679
            6   C1y C    27.2600  -14.9850
            7   C1x C    28.4450  -17.0923
            8   C1a C    27.2307  -17.7753
            9   C1z C    23.6116  -17.0631
            10  C1x C    24.8376  -14.9617
            11  C1x C    24.8142  -19.1704
            12  C1y C    28.4801  -14.3020
            13  C1x C    26.0517  -14.2788
            14  C1x C    29.6650  -16.4094
            15  C1y C    23.6059  -18.4699
            16  C1x C    22.3975  -16.3567
            17  C1a C    23.5999  -15.6621
            18  C1z C    29.6767  -15.0141
            19  C1y C    28.4975  -12.9069
            20  C1z C    22.3975  -19.1646
            21  C1x C    21.1775  -17.0631
            22  C1x C    30.8967  -14.3370
            23  C1a C    30.8851  -15.7146
            24  C2y C    29.7175  -12.2240
            25  C1a C    27.2717  -12.2064
            26  C1y C    21.1775  -18.4699
            27  C1a C    23.2263  -20.7287
            28  C1a C    21.6794  -20.7287
            29  C1x C    30.8442  -12.9419
            30  C2a C    29.7351  -10.8230
            31  O1a O    19.9575  -19.1587
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Down
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    9  15 1
            15    9  16 1
            16    9  17 1 #Up
            17   12  18 1
            18   12  19 1
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   18  23 1 #Up
            23   19  24 1
            24   19  25 1 #Down
            25   20  26 1
            26   20  27 1
            27   20  28 1
            28   22  29 1
            29   24  30 2
            30   26  31 1 #Up
            31   10  13 1
            32   11  15 1
            33   14  18 1
            34   21  26 1
            35   24  29 1

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