KEGG   COMPOUND: C08840Help
Entry
C08840                      Compound                               

Name
alpha-Spinasterol;
Spinasterol
Formula
C29H48O
Exact mass
412.3705
Mol weight
412.6908
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST01 Sterols
   ST0104 Stigmasterols and C24-ethyl derivatives
    C08840  alpha-Spinasterol
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Stigmastane
    C08840  alpha-Spinasterol
BRITE hierarchy
Other DBs
CAS: 481-18-5
PubChem: 11033
ChEBI: 10333
ChEMBL: CHEMBL487783
LIPIDMAPS: LMST01040248
LipidBank: SST0120
KNApSAcK: C00003673
3DMET: B02450
NIKKAJI: J389.542D J5.775D
LinkDB All DBs
KCF data Show

ATOM        30
            1   C2y C    21.5850  -20.7638
            2   C1y C    22.7672  -20.0880
            3   C1y C    20.3969  -20.0766
            4   C2x C    21.5850  -22.1324
            5   C1z C    22.7846  -18.7194
            6   C1x C    25.1318  -20.1113
            7   C1z C    19.2087  -20.7521
            8   C1x C    20.3384  -18.7078
            9   C1x C    20.3853  -22.8196
            10  C1y C    23.9786  -18.0555
            11  C1x C    21.6083  -18.0265
            12  C1a C    22.7732  -17.3449
            13  C1x C    25.1494  -18.7485
            14  C1y C    19.2030  -22.1265
            15  C1x C    18.0207  -20.0706
            16  C1a C    19.1971  -19.3776
            17  C1c C    24.0369  -16.6869
            18  C1x C    18.0207  -22.8137
            19  C1x C    16.8325  -20.7521
            20  C2b C    25.1435  -15.9938
            21  C1a C    22.7732  -15.9997
            22  C1y C    16.8325  -22.1265
            23  C2b C    26.3374  -16.6810
            24  O1a O    15.6502  -22.8137
            25  C1c C    27.5140  -15.9880
            26  C1c C    28.6961  -16.6693
            27  C1b C    27.5081  -14.6135
            28  C1a C    28.6961  -18.0381
            29  C1a C    29.8901  -15.9764
            30  C1a C    26.2967  -13.9203
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    7  16 1 #Up
            16   10  17 1
            17   14  18 1
            18   15  19 1
            19   17  20 1
            20   17  21 1 #Down
            21   18  22 1
            22   20  23 2
            23   22  24 1 #Up
            24   23  25 1
            25   25  26 1
            26   25  27 1 #Up
            27   26  28 1
            28   26  29 1
            29   27  30 1
            30    8  11 1
            31    9  14 1
            32   10  13 1
            33   19  22 1

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