KEGG   COMPOUND: C16416
Entry
C16416                      Compound                               

Name
Desmethylxanthohumol
Formula
C20H20O5
Exact mass
340.1311
Mol weight
340.3698
Structure
Reaction
Pathway
map00941  Flavonoid biosynthesis
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Chalcones
    C16416  Desmethylxanthohumol
Other DBs
CAS: 115063-39-3
PubChem: 47205714
ChEBI: 80489
ChEMBL: CHEMBL466143
KNApSAcK: C00035575
NIKKAJI: J1.068.808F
KCF data

ATOM        25
            1   C8y C    25.8456  -16.3281
            2   C8y C    25.8456  -17.7295
            3   C8y C    27.0593  -18.4303
            4   C8y C    28.2730  -17.7295
            5   C8y C    28.2730  -16.3281
            6   C8x C    27.0593  -15.6273
            7   O1a O    24.6319  -15.6273
            8   O1a O    29.5054  -15.6163
            9   O1a O    27.0593  -19.8315
            10  C5a C    29.5054  -18.4413
            11  C2b C    30.7119  -17.7449
            12  O5a O    29.5051  -19.8316
            13  C1b C    24.6319  -18.4303
            14  C2b C    23.4352  -17.7391
            15  C2c C    22.2465  -18.4254
            16  C1a C    21.0542  -17.7366
            17  C1a C    22.2463  -19.8315
            18  C2b C    31.9223  -18.4438
            19  C8y C    33.1476  -17.7369
            20  C8x C    34.3718  -18.4446
            21  C8x C    35.5846  -17.7453
            22  C8y C    35.5854  -16.3453
            23  C8x C    34.3612  -15.6376
            24  C8x C    33.1484  -16.3369
            25  O1a O    36.7643  -15.6661
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     5   8 1
            9     3   9 1
            10    4  10 1
            11   10  11 1
            12   10  12 2
            13    2  13 1
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   15  17 1
            18   11  18 2
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   19  24 1
            26   22  25 1

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