KEGG   COMPOUND: C10287
Entry
C10287                      Compound                               

Name
Pterostilbene
Formula
C16H16O3
Exact mass
256.1099
Mol weight
256.2964
Structure
Reaction
Pathway
map00945  Stilbenoid, diarylheptanoid and gingerol biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1309 Diphenyl ethers, biphenyls, dibenzyls and stilbenes
    C10287  Pterostilbene
Phytochemical compounds [BR:br08003]
 Shikimate / acetate-malonate pathway derived compounds
  Stilbenoids
   Stilbenes
    C10287  Pterostilbene
Other DBs
CAS: 537-42-8
PubChem: 12473
ChEBI: 8630
ChEMBL: CHEMBL83527
LIPIDMAPS: LMPK13090015
KNApSAcK: C00002902
PDB-CCD: 3RL[PDBj]
3DMET: B03709
NIKKAJI: J11.562B
KCF data

ATOM        19
            1   C8x C    21.7601  -16.4625
            2   C8y C    21.7601  -17.8628
            3   C8x C    22.9766  -18.5664
            4   C8y C    24.1858  -17.8628
            5   C8x C    24.1858  -16.4625
            6   C8y C    22.9766  -15.7660
            7   C2b C    25.4000  -18.5654
            8   C2b C    26.6129  -17.8609
            9   C8y C    27.8270  -18.5637
            10  C8x C    27.8260  -19.9591
            11  C8x C    29.0400  -20.6548
            12  C8y C    30.2460  -19.9572
            13  C8x C    30.2450  -18.5571
            14  C8x C    29.0380  -17.8543
            15  O1a O    31.4600  -20.6529
            16  O2a O    22.9783  -14.3659
            17  O2a O    20.5539  -18.5669
            18  C1a C    24.1927  -13.6638
            19  C1a C    19.3401  -17.8640
BOND        20
            1     3   4 1
            2     4   5 2
            3     5   6 1
            4     6   1 2
            5     9  10 2
            6    10  11 1
            7    11  12 2
            8    12  13 1
            9    13  14 2
            10   14   9 1
            11    4   7 1
            12   12  15 1
            13    1   2 1
            14    6  16 1
            15    7   8 2
            16    2  17 1
            17    2   3 2
            18   16  18 1
            19    8   9 1
            20   17  19 1

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