KEGG   COMPOUND: C16187Help
Entry
C16187                      Compound                               

Name
7,2'-Dihydroxy-4'-methoxy-isoflavanol;
DMI;
(3R,4R)-4'-Methoxyisoflavan-2',4,7-triol
Formula
C16H16O5
Exact mass
288.0998
Mol weight
288.2952
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.1.1.348       4.2.1.139
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavanes
    C16187  7,2'-Dihydroxy-4'-methoxy-isoflavanol
BRITE hierarchy
Other DBs
PubChem: 47205495
ChEBI: 71335 72646
NIKKAJI: J2.798.747H
KCF data Show

ATOM        21
            1   C8y C    13.7897  -14.4196
            2   C8x C    13.7897  -15.8196
            3   C8x C    15.0021  -16.5196
            4   C8y C    16.2146  -15.8196
            5   C8y C    16.2146  -14.4196
            6   C8x C    15.0021  -13.7197
            7   C1y C    17.4270  -16.5196
            8   C1y C    18.6393  -15.8196
            9   C1x C    18.6393  -14.4196
            10  O2x O    17.4270  -13.7197
            11  C8y C    19.8369  -16.5111
            12  C8y C    19.8369  -17.9193
            13  C8x C    21.0494  -18.6193
            14  C8y C    22.2618  -17.9193
            15  C8x C    22.2618  -16.5111
            16  C8x C    21.0493  -15.8111
            17  O1a O    18.6041  -18.6314
            18  O2a O    23.4727  -18.6184
            19  O1a O    17.4270  -17.9196
            20  O1a O    12.5773  -13.7197
            21  C1a C    24.6671  -17.9286
BOND        23
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 1 #Up
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   12  17 1
            20   14  18 1
            21    7  19 1 #Up
            22    1  20 1
            23   18  21 1

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