KEGG   COMPOUND: C04552
Entry
C04552                      Compound                               

Name
Chrysosplenol D;
3',4',5-Trihydroxy-3,6,7-trimethoxyflavone
Formula
C18H16O8
Exact mass
360.0845
Mol weight
360.3148
Structure
Reaction
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C04552  Chrysosplenol D
Other DBs
CAS: 14965-20-9
PubChem: 7157
ChEBI: 18016
ChEMBL: CHEMBL491366
KNApSAcK: C00004692
3DMET: B00731
NIKKAJI: J14.308A
KCF data

ATOM        26
            1   C8y C    16.7921  -15.4434
            2   C8y C    16.7921  -16.8520
            3   C8y C    18.0088  -14.7327
            4   C8y C    15.5692  -14.7519
            5   O2x O    18.0216  -17.5628
            6   C8x C    15.5692  -17.5693
            7   C8y C    19.2445  -15.4371
            8   O5x O    18.0024  -13.3367
            9   C8y C    14.3654  -15.4434
            10  O1a O    15.5629  -13.3561
            11  C8y C    19.2510  -16.8585
            12  C8y C    14.3654  -16.8520
            13  O2a O    20.4420  -14.7327
            14  O2a O    13.1552  -14.7519
            15  C8y C    20.4548  -17.5565
            16  O2a O    13.1552  -17.5437
            17  C1a C    21.6521  -15.4242
            18  C1a C    11.9514  -15.4434
            19  C8x C    20.4611  -18.9523
            20  C8x C    21.6584  -16.8648
            21  C1a C    11.9514  -16.8457
            22  C8y C    21.6584  -19.6566
            23  C8x C    22.8688  -17.5500
            24  C8y C    22.8688  -18.9458
            25  O1a O    21.6584  -21.0461
            26  O1a O    24.0789  -19.6375
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   12  16 1
            16   13  17 1
            17   14  18 1
            18   15  19 1
            19   15  20 2
            20   16  21 1
            21   19  22 2
            22   20  23 1
            23   22  24 1
            24   22  25 1
            25   24  26 1
            26    7  11 2
            27    9  12 2
            28   23  24 2

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