KEGG   COMPOUND: C16225
Entry
C16225                      Compound                               

Name
(-)-Vestitol
Formula
C16H16O4
Exact mass
272.1049
Mol weight
272.2958
Structure
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
Enzyme
1.23.1.-
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavanes
    C16225  (-)-Vestitol
Other DBs
CAS: 35878-41-2
PubChem: 47205533
ChEBI: 80392
ChEMBL: CHEMBL479145
KNApSAcK: C00019387
NIKKAJI: J11.830C
KCF data

ATOM        20
            1   C8y C    20.0200  -17.9200
            2   C8x C    20.0200  -19.3200
            3   C8x C    21.2324  -20.0200
            4   C8y C    22.4449  -19.3200
            5   C8y C    22.4449  -17.9200
            6   C8x C    21.2324  -17.2200
            7   C1x C    23.6573  -20.0200
            8   C1y C    24.8697  -19.3200
            9   C1x C    24.8697  -17.9200
            10  O2x O    23.6573  -17.2200
            11  C8y C    26.0673  -20.0115
            12  C8y C    26.0673  -21.4197
            13  C8x C    27.2798  -22.1197
            14  C8y C    28.4922  -21.4197
            15  C8x C    28.4922  -20.0115
            16  C8x C    27.2797  -19.3115
            17  O2a O    29.7031  -22.1188
            18  C1a C    30.8976  -21.4290
            19  O1a O    24.8345  -22.1318
            20  O1a O    18.8076  -17.2200
BOND        22
            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   14  17 1
            20   17  18 1
            21   12  19 1
            22    1  20 1

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