KEGG   COMPOUND: C08619Help
Entry
C08619                      Compound                               

Name
Betulinic acid
Formula
C30H48O3
Exact mass
456.3603
Mol weight
456.7003
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Lupanes
    C08619  Betulinic acid
BRITE hierarchy
Other DBs
CAS: 472-15-1
PubChem: 10812
ChEBI: 3087
ChEMBL: CHEMBL269277
KNApSAcK: C00003741
3DMET: B02273
NIKKAJI: J11.885K
KCF data Show

ATOM        33
            1   C1y C    27.9519  -14.3990
            2   C1z C    29.1443  -15.1004
            3   C1y C    26.7536  -15.0770
            4   C1x C    29.1092  -16.4739
            5   C6a C    30.3192  -15.7901
            6   C1z C    26.7362  -16.4448
            7   C1x C    25.5730  -14.3756
            8   C1x C    27.9168  -17.1402
            9   O6a O    31.2835  -14.8082
            10  O6a O    30.3132  -17.1636
            11  C1z C    25.5496  -17.1228
            12  C1a C    26.7245  -17.8125
            13  C1x C    24.3748  -15.0536
            14  C1y C    24.3631  -16.4271
            15  C1x C    25.5496  -18.4963
            16  C1a C    26.0979  -15.5974
            17  C1z C    23.1706  -17.1111
            18  C1x C    24.3514  -19.1802
            19  C1y C    23.1649  -18.4846
            20  C1x C    21.9784  -16.4214
            21  C1a C    23.1532  -15.7317
            22  C1z C    21.9784  -19.1802
            23  C1x C    20.7801  -17.1111
            24  C1y C    20.7801  -18.4846
            25  C1a C    22.7964  -20.5768
            26  C1a C    21.2769  -20.5768
            27  O1a O    19.5877  -19.1685
            28  C1x C    30.1799  -14.1831
            29  C1x C    29.6275  -12.9147
            30  C1y C    28.2505  -13.0482
            31  C2c C    27.3215  -11.9995
            32  C1a C    25.9354  -12.2829
            33  C2a C    27.7718  -10.6519
BOND        37
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1 #Up
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    6  12 1 #Down
            12    7  13 1
            13   11  14 1
            14   11  15 1
            15   11  16 1 #Up
            16   14  17 1
            17   15  18 1
            18   17  19 1
            19   17  20 1
            20   17  21 1 #Up
            21   19  22 1
            22   20  23 1
            23   22  24 1
            24   22  25 1
            25   22  26 1
            26   24  27 1 #Up
            27    6   8 1
            28   13  14 1
            29   18  19 1
            30   23  24 1
            31    2  28 1
            32   28  29 1
            33   29  30 1
            34    1  30 1
            35   30  31 1 #Down
            36   31  32 1
            37   31  33 2

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