KEGG   COMPOUND: C08950
Entry
C08950                      Compound                               
Name
Gypsogenin
Formula
C30H46O4
Exact mass
470.3396
Mol weight
470.6838
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0106 C30 isoprenoids (triterpenes)
    PR010615 Oleanane triterpenoids
     C08950  Gypsogenin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Ursanes
    C08950  Gypsogenin
Other DBs
CAS: 639-14-5
PubChem: 11142
ChEBI: 5580
LIPIDMAPS: LMPR0106150010
KNApSAcK: C00003525
3DMET: B02553
NIKKAJI: J16.958G
KCF data

ATOM        34
            1   C1z C    24.0348  -19.1355
            2   C2y C    23.9822  -17.7358
            3   C1z C    22.7458  -19.8301
            4   C1x C    25.1720  -19.8534
            5   C1a C    23.9532  -20.5349
            6   C1y C    25.2070  -17.0484
            7   C2x C    22.7691  -17.0252
            8   C1y C    21.5329  -19.1179
            9   C1x C    22.7458  -21.2353
            10  C1a C    23.3641  -18.4188
            11  C1x C    26.3909  -19.1645
            12  C1z C    26.4083  -17.7651
            13  C1x C    25.2246  -15.6490
            14  C1x C    21.5445  -17.7184
            15  C1z C    20.3081  -19.8184
            16  C1x C    21.5212  -21.9344
            17  C1x C    27.6214  -17.0833
            18  C6a C    27.6026  -18.4654
            19  C1z C    26.4490  -14.9720
            20  C1y C    20.3023  -21.2294
            21  C1x C    19.0951  -19.1179
            22  C1a C    20.2964  -18.4130
            23  C1x C    27.6447  -15.6840
            24  O6a O    27.5969  -19.8767
            25  C1a C    27.1307  -13.7414
            26  C1a C    25.7255  -13.7414
            27  C1z C    19.0951  -21.9285
            28  C1x C    17.8775  -19.8184
            29  C1y C    17.8775  -21.2294
            30  C4a C    19.5276  -23.2873
            31  C1a C    18.3843  -23.1475
            32  O1a O    16.6645  -21.9344
            33  O6a O    28.8065  -17.7490
            34  O4a O    20.8092  -23.6544
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    9  16 1
            16   12  17 1
            17   12  18 1 #Up
            18   13  19 1
            19   15  20 1
            20   15  21 1
            21   15  22 1 #Up
            22   17  23 1
            23   18  24 2
            24   19  25 1
            25   19  26 1
            26   20  27 1
            27   21  28 1
            28   27  29 1
            29   27  30 1 #Down
            30   27  31 1 #Up
            31   29  32 1 #Up
            32    8  14 1
            33   11  12 1
            34   16  20 1
            35   19  23 1
            36   28  29 1
            37   18  33 1
            38   30  34 2

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