KEGG   COMPOUND: C08972
Entry
C08972                      Compound                               
Name
Quillaic acid
Formula
C30H46O5
Exact mass
486.3345
Mol weight
486.6832
Structure
Reaction
Pathway
map00999  Biosynthesis of various plant secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00971  QS-7 biosynthesis, 2,3-epoxysqualene => QS-7
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0106 C30 isoprenoids (triterpenes)
    PR010615 Oleanane triterpenoids
     C08972  Quillaic acid
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Oleananes
    C08972  Quillaic acid
Dietary phytochemicals [br08012.html]
 Other phytochemicals
  C08972
Other DBs
CAS: 631-01-6
PubChem: 11164
ChEBI: 8710
LIPIDMAPS: LMPR0106150037
KNApSAcK: C00003546
3DMET: B02574
NIKKAJI: J15.488A
LinkDB
KCF data

ATOM        35
            1   C1z C    26.4242  -17.4311
            2   C1y C    25.2264  -16.7124
            3   C1y C    26.4125  -18.8277
            4   C1x C    27.6454  -16.7475
            5   C6a C    27.6337  -18.1265
            6   C2y C    24.0051  -17.4019
            7   C1x C    25.1738  -15.3217
            8   C1x C    25.1913  -19.5112
            9   O1a O    26.4008  -20.2300
            10  C1x C    27.6629  -15.3509
            11  C1z C    23.9877  -18.7983
            12  C2x C    22.7956  -16.6890
            13  C1z C    26.4650  -14.6439
            14  C1z C    22.7722  -19.4878
            15  C1a C    23.9760  -20.1949
            16  C1x C    21.5803  -17.3845
            17  C1a C    27.1545  -13.2070
            18  C1a C    25.7470  -13.2767
            19  C1y C    21.5686  -18.7809
            20  C1x C    22.7722  -20.8902
            21  C1a C    23.3905  -18.0797
            22  C1z C    20.3474  -19.4761
            23  C1x C    21.5569  -21.5914
            24  C1y C    20.3415  -20.8844
            25  C1x C    19.1379  -18.7809
            26  C1a C    20.3357  -18.0738
            27  C1z C    19.1379  -21.5856
            28  C1x C    17.9166  -19.4761
            29  C1y C    17.9166  -20.8844
            30  C4a C    19.5642  -22.9412
            31  C1a C    18.4191  -22.8009
            32  O1a O    16.7014  -21.5914
            33  O6a O    28.8345  -17.4183
            34  O6a O    27.6202  -19.5224
            35  O4a O    20.7456  -23.9370
BOND        39
            1     1   4 1
            2     1   5 1 #Up
            3     2   6 1
            4     2   7 1
            5     3   8 1
            6     3   9 1 #Down
            7     4  10 1
            8     6  11 1
            9     6  12 2
            10    7  13 1
            11   11  14 1
            12   11  15 1 #Down
            13   12  16 1
            14   13  17 1
            15   13  18 1
            16   14  19 1
            17   14  20 1
            18   14  21 1 #Up
            19   19  22 1
            20   20  23 1
            21   22  24 1
            22   22  25 1
            23   22  26 1 #Up
            24   24  27 1
            25   25  28 1
            26   27  29 1
            27   27  30 1 #Down
            28   27  31 1 #Up
            29   29  32 1 #Up
            30    8  11 1
            31   10  13 1
            32   16  19 1
            33   23  24 1
            34   28  29 1
            35    5  33 1
            36    1   2 1
            37    5  34 2
            38    1   3 1
            39   30  35 2

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