KEGG   COMPOUND: C10253Help
Entry
C10253                      Compound                               

Name
Demethylbatatasin IV
Formula
C14H14O3
Exact mass
230.0943
Mol weight
230.2592
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1309 Diphenyl ethers, biphenyls, dibenzyls and stilbenes
    C10253  Demethylbatatasin IV
Phytochemical compounds [BR:br08003]
 Shikimate / acetate-malonate pathway derived compounds
  Stilbenoids
   Bibenzyls
    C10253  Demethylbatatasin IV
BRITE hierarchy
Other DBs
CAS: 113276-63-4
PubChem: 12439
ChEBI: 4395
ChEMBL: CHEMBL474628
LIPIDMAPS: LMPK13090033
KNApSAcK: C00002877
3DMET: B03678
NIKKAJI: J2.772.111G
KCF data Show

ATOM        17
            1   C8x C    21.7260  -16.0985
            2   C8y C    21.7260  -17.4989
            3   C8x C    22.9427  -18.2026
            4   C8y C    24.1524  -17.4989
            5   C8x C    24.1524  -16.0985
            6   C8y C    22.9427  -15.4018
            7   C1b C    25.3665  -18.2018
            8   C1b C    26.5797  -17.4972
            9   C8y C    27.7941  -18.1999
            10  C8x C    27.7931  -19.5955
            11  C8x C    29.0073  -20.2914
            12  C8x C    30.2135  -19.5938
            13  C8x C    30.2125  -18.1934
            14  C8y C    29.0052  -17.4906
            15  O1a O    22.9444  -14.0014
            16  O1a O    20.5198  -18.2033
            17  O1a O    29.0017  -16.0901
BOND        18
            1     2   3 2
            2     8   9 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   1 2
            7     9  10 2
            8    10  11 1
            9    11  12 2
            10   12  13 1
            11   13  14 2
            12   14   9 1
            13    4   7 1
            14    6  15 1
            15    1   2 1
            16    2  16 1
            17    7   8 1
            18   14  17 1

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