KEGG   COMPOUND: C08772
Entry
C08772                      Compound                               
Name
Nigakihemiacetal A
Formula
C22H34O7
Exact mass
410.2305
Mol weight
410.5012
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C08772  Nigakihemiacetal A
Other DBs
CAS: 30248-05-6
PubChem: 10965
ChEBI: 7567
KNApSAcK: C00003721
3DMET: B05290
NIKKAJI: J34.251C
LinkDB
KCF data

ATOM        29
            1   C1y C    26.0342  -15.6101
            2   C1z C    27.2357  -16.3158
            3   C1z C    24.7452  -16.2984
            4   C1y C    26.0459  -14.2102
            5   C1y C    28.4548  -15.6275
            6   C1y C    27.2299  -17.7098
            7   C1a C    27.8483  -14.9042
            8   C1y C    24.8092  -17.7040
            9   C5x C    23.6018  -15.6042
            10  C1a C    24.8035  -15.1085
            11  C1y C    27.2590  -13.5160
            12  O1a O    24.8385  -13.0727
            13  C1z C    28.3907  -14.2276
            14  C1x C    29.6622  -16.3332
            15  C1x C    26.0225  -18.4156
            16  O2x O    28.4314  -18.4214
            17  C1y C    23.6018  -18.4097
            18  C2y C    22.3887  -16.2984
            19  O5x O    23.5902  -14.1985
            20  O2a O    27.2707  -12.1161
            21  C1a C    29.4522  -13.0203
            22  O1a O    29.8663  -14.5776
            23  C1y C    29.6505  -17.7331
            24  C2x C    22.3887  -17.7040
            25  C1a C    23.5902  -19.8096
            26  O2a O    21.1696  -15.6042
            27  C1a C    28.4898  -11.4278
            28  O1a O    30.8636  -18.4447
            29  C1a C    19.9448  -16.2867
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    4  12 1 #Down
            12    5  13 1
            13    5  14 1
            14    6  15 1
            15    6  16 1
            16    8  17 1
            17    9  18 1
            18    9  19 2
            19   11  20 1 #Up
            20   13  21 1 #Down
            21   13  22 1 #Up
            22   14  23 1
            23   17  24 1
            24   17  25 1 #Down
            25   18  26 1
            26   20  27 1
            27   23  28 1
            28   26  29 1
            29    8  15 1
            30   11  13 1
            31   16  23 1
            32   18  24 2

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