KEGG   COMPOUND: C10246
Entry
C10246                      Compound                               
Name
Batatasin I;
2,5,7-Trimethoxyphenanthren-3-ol
Formula
C17H16O4
Exact mass
284.1049
Mol weight
284.3065
Structure
Brite
Phytochemical compounds [BR:br08003]
 Shikimate / acetate-malonate pathway derived compounds
  Stilbenoids
   Phenanthrenes
    C10246  Batatasin I
Other DBs
CAS: 51415-00-0
PubChem: 12432
ChEBI: 2996
KNApSAcK: C00000325
3DMET: B03671
NIKKAJI: J11.651C
KCF data

ATOM        21
            1   C8x C    22.6120  -15.8587
            2   C8y C    21.8782  -17.0598
            3   C8x C    22.5584  -18.2947
            4   C8y C    23.9594  -18.2548
            5   C8y C    24.0189  -15.8926
            6   C8y C    24.6820  -17.1196
            7   C8x C    26.1460  -14.6671
            8   C8x C    24.7510  -14.7014
            9   C8y C    26.8091  -15.9641
            10  C8y C    26.0762  -17.1531
            11  C8x C    26.7441  -18.3796
            12  C8y C    28.1374  -18.4172
            13  C8y C    28.8632  -17.2282
            14  C8x C    28.2025  -16.0017
            15  O2a O    20.4738  -17.0981
            16  O2a O    24.6334  -19.5564
            17  O1a O    28.8032  -19.6531
            18  O2a O    30.2676  -17.1961
            19  C1a C    19.8026  -15.7950
            20  C1a C    26.0379  -19.5849
            21  C1a C    30.9336  -18.4949
BOND        23
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     9  10 2
            5    10  11 1
            6    11  12 2
            7    12  13 1
            8    13  14 2
            9    14   9 1
            10    5   6 2
            11    2  15 1
            12    6  10 1
            13    4  16 1
            14    9   7 1
            15   12  17 1
            16    7   8 2
            17   13  18 1
            18    8   5 1
            19   15  19 1
            20    4   6 1
            21   16  20 1
            22    5   1 1
            23   18  21 1

» Japanese version

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Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   HMDB (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
All databases (6)   

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