KEGG   COMPOUND: C10265
Entry
C10265                      Compound                               
Name
Isobatatasin I
Formula
C17H16O4
Exact mass
284.1049
Mol weight
284.3065
Structure
Brite
Phytochemical compounds [BR:br08003]
 Shikimate / acetate-malonate pathway derived compounds
  Stilbenoids
   Phenanthrenes
    C10265  Isobatatasin I
Other DBs
CAS: 39499-84-8
PubChem: 12451
ChEBI: 5983
KNApSAcK: C00002886
3DMET: B03688
NIKKAJI: J2.432.107J
LinkDB
KCF data

ATOM        21
            1   C8y C    25.0247  -17.1993
            2   C8y C    26.4165  -17.1857
            3   C8y C    24.3242  -15.9874
            4   C8y C    24.3394  -18.4147
            5   C8y C    27.1193  -15.9869
            6   C8x C    27.1118  -18.3947
            7   C8x C    22.9175  -15.9924
            8   C8x C    25.0227  -14.7729
            9   C8x C    22.9346  -18.4273
            10  O2a O    25.0400  -19.6265
            11  C8x C    26.4269  -14.7729
            12  C8x C    28.5155  -15.9893
            13  C8y C    28.5023  -18.4072
            14  C8y C    22.2241  -17.2099
            15  C1a C    26.4445  -19.6136
            16  C8y C    29.2030  -17.2005
            17  O2a O    29.1998  -19.6241
            18  O2a O    20.8193  -17.2226
            19  O1a O    30.6090  -17.2086
            20  C1a C    30.6010  -19.6294
            21  C1a C    20.1085  -16.0051
BOND        23
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 2
            14   10  15 1
            15   12  16 2
            16   13  17 1
            17   14  18 1
            18   16  19 1
            19   17  20 1
            20   18  21 1
            21    8  11 2
            22    9  14 1
            23   13  16 1

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