KEGG   COMPOUND: C08617Help
Entry
C08617                      Compound                               

Name
Asiatic acid
Formula
C30H48O5
Exact mass
488.3502
Mol weight
488.6991
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Ursanes
    C08617  Asiatic acid
BRITE hierarchy
Other DBs
CAS: 464-92-6
PubChem: 10810
ChEBI: 2873
ChEMBL: CHEMBL1488520 CHEMBL278622 CHEMBL404313
KNApSAcK: C00003739
PDB-CCD: 0AS[PDBj]
3DMET: B02271
NIKKAJI: J11.338G
KCF data Show

ATOM        35
            1   C1z C    25.4449  -17.1041
            2   C1z C    26.6594  -16.4092
            3   C1y C    24.2362  -16.3918
            4   C1x C    25.4449  -18.5054
            5   C1a C    25.9932  -15.6969
            6   C2y C    26.6768  -15.0139
            7   C1x C    27.8621  -17.1215
            8   C1a C    26.6477  -17.8048
            9   C1z C    23.0160  -17.0924
            10  C1x C    24.2479  -14.9905
            11  C1x C    24.2246  -19.2001
            12  C1y C    27.8971  -14.3307
            13  C2x C    25.4682  -14.3073
            14  C1x C    29.1466  -16.4385
            15  C1y C    23.0102  -18.4995
            16  C1x C    21.8075  -16.3859
            17  C1a C    23.0043  -15.6911
            18  C1z C    29.0940  -15.0430
            19  C1y C    27.9147  -12.9353
            20  C1z C    21.8075  -19.1944
            21  C1y C    20.5930  -17.0924
            22  C1x C    30.3026  -14.3657
            23  C6a C    30.2909  -15.7436
            24  C1y C    29.1291  -12.2521
            25  C1a C    26.9046  -11.9368
            26  C1y C    20.5930  -18.4995
            27  C1b C    22.4963  -20.6887
            28  C1a C    21.0952  -20.6887
            29  O1a O    19.3727  -16.3859
            30  C1x C    30.3260  -12.9703
            31  O6a O    31.5053  -15.0313
            32  O6a O    30.2852  -17.1508
            33  C1a C    29.1232  -10.8510
            34  O1a O    19.3727  -19.1884
            35  O1a O    23.8919  -20.6887
BOND        39
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Down
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    6  13 2
            13    7  14 1
            14    9  15 1
            15    9  16 1
            16    9  17 1 #Up
            17   12  18 1
            18   12  19 1
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   18  23 1 #Up
            23   19  24 1
            24   19  25 1 #Up
            25   20  26 1
            26   20  27 1 #Down
            27   20  28 1 #Up
            28   21  29 1 #Down
            29   22  30 1
            30   23  31 1
            31   23  32 2
            32   24  33 1 #Down
            33   26  34 1 #Up
            34   27  35 1
            35   10  13 1
            36   11  15 1
            37   14  18 1
            38   21  26 1
            39   24  30 1

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