KEGG   COMPOUND: C08512Help
Entry
C08512                      Compound                               

Name
Ranunculin
Formula
C11H16O8
Exact mass
276.0845
Mol weight
276.2399
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Cyanogenic glucosides
   Others
    C08512  Ranunculin
Natural toxins [BR:br08009]
 Phytotoxins
  Others
   Others
    C08512  Ranunculin
BRITE hierarchy
Other DBs
CAS: 644-69-9
PubChem: 10705
ChEBI: 8778
ChEMBL: CHEMBL1964624
KNApSAcK: C00001322
NIKKAJI: J205.922C
LinkDB All DBs
KCF data Show

ATOM        19
            1   C1y C    27.0766  -19.2675
            2   O2x O    25.8600  -18.5598
            3   C1y C    27.0766  -20.6712
            4   O2a O    28.2874  -18.5658
            5   C1y C    24.6377  -19.2675
            6   C1y C    25.8600  -21.3731
            7   O1a O    28.2874  -21.3731
            8   C1b C    29.4981  -19.2675
            9   C1y C    24.6377  -20.6712
            10  C1b C    23.4211  -18.5598
            11  O1a O    25.8600  -22.7711
            12  C1y C    30.6444  -18.5598
            13  O1a O    23.4270  -21.3731
            14  O1a O    22.2046  -19.2558
            15  O7x O    32.0423  -18.5598
            16  C2x C    30.2117  -17.2321
            17  C7x C    32.4810  -17.2321
            18  C2x C    31.3462  -16.4016
            19  O6a O    33.8145  -16.7994
BOND        20
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1 #Up
            11   12   8 1 #Down
            12    9  13 1 #Down
            13   10  14 1
            14   12  15 1
            15   12  16 1
            16   15  17 1
            17   16  18 2
            18   17  19 2
            19    6   9 1
            20   17  18 1

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