KEGG   COMPOUND: C08965
Entry
C08965                      Compound                               
Name
Pfaffic acid
Formula
C29H44O3
Exact mass
440.329
Mol weight
440.6579
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0106 C30 isoprenoids (triterpenes)
    PR010625 Other triterpenoids
     C08965  Pfaffic acid
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Others
    C08965  Pfaffic acid
Other DBs
CAS: 86432-14-6
PubChem: 11157
ChEBI: 8036
LIPIDMAPS: LMPR0106250001
KNApSAcK: C00003539
3DMET: B02567
NIKKAJI: J1.910.600D
LinkDB
KCF data

ATOM        32
            1   C1z C    25.6359  -17.0866
            2   C1y C    24.5049  -16.4160
            3   C1y C    25.6185  -18.4100
            4   C6a C    25.6359  -15.7513
            5   C2y C    23.2863  -17.0573
            6   C1x C    24.7731  -17.4829
            7   C1x C    24.4757  -19.0513
            8   O6a O    26.7730  -15.0809
            9   O6a O    24.4757  -15.0983
            10  C1z C    23.3387  -18.3809
            11  C2x C    22.2135  -16.3869
            12  C1z C    22.1902  -19.0339
            13  C1a C    23.3213  -19.6986
            14  C1x C    21.0590  -17.0399
            15  C1y C    21.0473  -18.3633
            16  C1x C    22.1902  -20.3573
            17  C1a C    22.8028  -17.7046
            18  C1z C    19.8988  -19.0222
            19  C1x C    21.0416  -21.0222
            20  C1y C    19.8930  -20.3516
            21  C1x C    18.7502  -18.3576
            22  C1a C    19.8871  -17.6987
            23  C1z C    18.7502  -21.0162
            24  C1x C    17.5959  -19.0222
            25  C1y C    17.5959  -20.3516
            26  C1a C    19.5026  -22.5089
            27  C1a C    18.0216  -22.5092
            28  O1a O    16.4414  -21.0162
            29  C1z C    26.8718  -18.8355
            30  C1x C    27.6637  -17.7751
            31  C1x C    26.8999  -16.6942
            32  C1a C    27.2860  -20.1698
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 2
            11   10  12 1
            12   10  13 1 #Down
            13   11  14 1
            14   12  15 1
            15   12  16 1
            16   12  17 1 #Up
            17   15  18 1
            18   16  19 1
            19   18  20 1
            20   18  21 1
            21   18  22 1 #Up
            22   20  23 1
            23   21  24 1
            24   23  25 1
            25   23  26 1
            26   23  27 1
            27   25  28 1 #Up
            28    7  10 1
            29   14  15 1
            30   19  20 1
            31   24  25 1
            32    3  29 1
            33   29  30 1
            34   30  31 1
            35    1  31 1
            36   29  32 1
            37   29   6 1 #Down

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