KEGG   COMPOUND: C10247Help
Entry
C10247                      Compound                               

Name
Batatasin IV;
3-[2-(2-Hydroxyphenyl)ethyl]-5-methoxyphenol
Formula
C15H16O3
Exact mass
244.1099
Mol weight
244.2857
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1309 Diphenyl ethers, biphenyls, dibenzyls and stilbenes
    C10247  Batatasin IV
Phytochemical compounds [BR:br08003]
 Shikimate / acetate-malonate pathway derived compounds
  Stilbenoids
   Bibenzyls
    C10247  Batatasin IV
BRITE hierarchy
Other DBs
CAS: 60347-67-3
PubChem: 12433
ChEBI: 2997
ChEMBL: CHEMBL228126
LIPIDMAPS: LMPK13090032
KNApSAcK: C00002871
PDB-CCD: 8KW[PDBj]
3DMET: B03672
NIKKAJI: J17.991D
KCF data Show

ATOM        18
            1   C8x C    21.6853  -16.4314
            2   C8y C    21.6853  -17.8321
            3   C8x C    22.9022  -18.5289
            4   C8y C    24.1118  -17.8321
            5   C8x C    24.1118  -16.4314
            6   C8y C    22.9022  -15.7275
            7   C1b C    25.3264  -18.5279
            8   C1b C    26.5398  -17.8302
            9   C8y C    27.7543  -18.5262
            10  C8x C    27.7533  -19.9220
            11  C8x C    28.9677  -20.6249
            12  C8x C    30.1741  -19.9201
            13  C8x C    30.1731  -18.5196
            14  C8y C    28.9656  -17.8165
            15  O1a O    28.9619  -16.4160
            16  O2a O    22.9039  -14.3269
            17  O1a O    20.4787  -18.5294
            18  C1a C    24.1188  -13.6246
BOND        19
            1     8   9 1
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   1 2
            6     9  10 1
            7    10  11 2
            8    11  12 1
            9    12  13 2
            10   13  14 1
            11   14   9 2
            12    4   7 1
            13   14  15 1
            14    1   2 1
            15    6  16 1
            16    7   8 1
            17    2  17 1
            18    2   3 2
            19   16  18 1

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