KEGG   COMPOUND: C10064
Entry
C10064                      Compound                               

Name
Gentiacaulein;
2,8-Dihydroxy-1,6-dimethoxyxanthone
Formula
C15H12O6
Exact mass
288.0634
Mol weight
288.2522
Structure
Brite
Phytochemical compounds [BR:br08003]
 Polyketides
  Pyrones
   Xanthenes
    C10064  Gentiacaulein
Other DBs
CAS: 15402-27-4
PubChem: 12250
ChEBI: 5313
ChEMBL: CHEMBL467590
KNApSAcK: C00002952
3DMET: B03506
NIKKAJI: J14.321I
KCF data

ATOM        21
            1   C8y C    23.0311  -15.9774
            2   C8y C    23.0368  -14.5727
            3   C8y C    24.2376  -16.6768
            4   C8y C    21.8246  -16.6768
            5   O2x O    24.2493  -13.8790
            6   C8x C    21.8246  -13.8733
            7   C8y C    25.4499  -15.9833
            8   O5x O    24.2317  -18.0814
            9   C8y C    20.6123  -15.9774
            10  O2a O    21.8303  -18.0757
            11  C8y C    25.4616  -14.5844
            12  C8x C    20.6123  -14.5727
            13  C8y C    26.6507  -16.6885
            14  O1a O    19.3941  -16.6768
            15  C1a C    20.6180  -18.7809
            16  C8x C    26.6798  -13.8966
            17  C8x C    27.8689  -16.0064
            18  O1a O    26.6390  -18.0931
            19  C8y C    27.8863  -14.6077
            20  O2a O    29.1045  -13.9140
            21  C1a C    30.3110  -14.6310
BOND        23
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    9  14 1
            14   10  15 1
            15   11  16 1
            16   13  17 2
            17   13  18 1
            18   16  19 2
            19   19  20 1
            20   20  21 1
            21    7  11 2
            22    9  12 1
            23   17  19 1

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