KEGG   COMPOUND: C16760
Entry
C16760                      Compound                               
Name
Aloe emodin anthrone
Formula
C15H12O4
Exact mass
256.0736
Mol weight
256.2534
Structure
Comment
Aloe-emodin [CPD:C10294]
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1304 Anthracenes and phenanthrenes
    C16760  Aloe emodin anthrone
Phytochemical compounds [BR:br08003]
 Polyketides
  Anthraquinones
   Anthrone type
    C16760  Aloe emodin anthrone
Dietary phytochemicals [br08012.html]
 Other phytochemicals
  C16760
Other DBs
CAS: 6247-99-0
PubChem: 96023284
ChEBI: 80709
NIKKAJI: J265.044D
LinkDB
KCF data

ATOM        19
            1   C8x C    14.3500  -16.7300
            2   C8x C    14.3500  -18.1300
            3   C8x C    15.5624  -18.8300
            4   C8y C    16.7749  -18.1300
            5   C8y C    16.7749  -16.7300
            6   C8y C    15.5624  -16.0300
            7   C1x C    17.9873  -18.8300
            8   C8y C    19.1997  -18.1300
            9   C8y C    19.1997  -16.7300
            10  C5x C    17.9873  -16.0300
            11  C8x C    20.4122  -18.8300
            12  C8y C    21.6246  -18.1300
            13  C8x C    21.6246  -16.7300
            14  C8y C    20.4122  -16.0300
            15  O1a O    15.5624  -14.6302
            16  O5x O    17.9873  -14.6300
            17  O1a O    20.4122  -14.6303
            18  C1b C    22.8411  -18.8323
            19  O1a O    24.0386  -18.1408
BOND        21
            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 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17    6  15 1
            18   10  16 2
            19   14  17 1
            20   12  18 1
            21   18  19 1

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