KEGG   COMPOUND: C08770
Entry
C08770                      Compound                               
Name
Isobrucein B
Formula
C23H28O11
Exact mass
480.1632
Mol weight
480.46
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C08770  Isobrucein B
Other DBs
CAS: 53663-03-9
PubChem: 10963
ChEBI: 5988
KNApSAcK: C00003718
NIKKAJI: J20.706C
LinkDB
KCF data

ATOM        34
            1   C1z C    25.3925  -16.0074
            2   C1y C    26.6194  -15.3123
            3   C1y C    24.1832  -15.2948
            4   C1y C    25.3866  -17.4096
            5   C1x C    24.8838  -14.9789
            6   C1z C    26.6311  -13.9043
            7   C1y C    27.8404  -16.0250
            8   C1z C    22.9562  -15.9957
            9   C1y C    24.1249  -13.8867
            10  C1x C    24.1715  -18.1166
            11  O7x O    26.6017  -18.1283
            12  O2x O    25.2872  -13.9684
            13  C1y C    25.4158  -13.1915
            14  C7a C    27.8521  -13.1973
            15  C7x C    27.8287  -17.4330
            16  O7a O    29.0615  -15.3063
            17  C1y C    22.9504  -17.4038
            18  C1y C    21.7351  -15.2889
            19  C1a C    22.8745  -14.5820
            20  O1a O    23.1079  -12.6139
            21  O1a O    25.4275  -11.7777
            22  O7a O    29.0732  -13.8984
            23  O6a O    27.8462  -11.7834
            24  O6a O    29.0498  -18.1517
            25  C7a C    30.2825  -15.9957
            26  C2y C    21.7351  -18.1107
            27  C5x C    20.5083  -15.9957
            28  O1a O    21.7411  -13.8750
            29  C1a C    30.2883  -13.1856
            30  C1a C    31.4919  -15.2772
            31  O6a O    30.2942  -17.4038
            32  C2x C    20.5083  -17.4038
            33  C1a C    21.7411  -19.5246
            34  O5x O    19.2932  -15.2889
BOND        38
            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     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Up
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Up
            20   13  21 1 #Down
            21   14  22 1
            22   14  23 2
            23   15  24 2
            24   16  25 1
            25   17  26 1
            26   18  27 1
            27   18  28 1 #Up
            28   22  29 1
            29   25  30 1
            30   25  31 2
            31   26  32 2
            32   26  33 1
            33   27  34 2
            34    6  12 1 #Up
            35    9  13 1
            36   10  17 1
            37   11  15 1
            38   27  32 1

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