Mol:FL63GCNS0001

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Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.9916   -1.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9916   -0.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4373   -0.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2772    0.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1518    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8242   -0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966    0.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8242    1.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1518    0.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1351    0.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8242    2.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2289   -1.5428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7061   -2.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1351    1.2968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7061    0.7798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9769   -1.4070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  4 17  1  0  0  0  0
 18 15  1  0  0  0  0
  8 19  1  1  0  0  0
  6 20  1  0  0  0  0
 14 21  1  0  0  0  0
  3 22  1  0  0  0  0
  5 23  1  0  0  0  0
S  SKP  8
ID	FL63GCNS0001
KNApSAcK_ID	C00013250
NAME	Elephantorrhizol;(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,6,7,8-pentol
CAS_RN	848154-70-1
FORMULA	C15H14O8
EXACTMASS	322.068867424
AVERAGEMASS	322.26686
SMILES	Oc(c3)c(O)cc(c3)C(C(O)2)Oc(c(O)1)c(C2)c(O)c(O)c(O)1
M  END

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