LMPK12130075
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.9058    8.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9058    7.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7510    7.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7510    8.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5961    7.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5961    8.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4411    8.9902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2885    8.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2874    7.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9776    6.8342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1337    8.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1337    9.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9795   10.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9793   11.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1338   11.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2891   11.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2892   10.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.9885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8245   11.9148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7510    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1338   12.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4411   11.9157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0743    8.0453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3119   13.3648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  6  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
  8 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12130075

> <COMMON_NAME>
Amaronol B

> <SYSTEMATIC_NAME>
(-)-2-[(3,5-Dihydroxy-4-methoxyphenyl)methyl]-2,4,6-trihydroxy-3(2H)-benzofuranone

> <FORMULA>
C16H14O8

> <MASS>
334.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YCDTYNVODFTPCZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H14O8/c1-23-14-10(19)2-7(3-11(14)20)6-16(22)15(21)13-9(18)4-8(17)5-12(13)24-16/h2-5,17-20,22H,6H2,1H3

> <SMILES>
C1(O)C=C2OC(O)(CC3C=C(O)C(OC)=C(O)C=3)C(=O)C2=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
183207

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
485522

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3355

> <CITATION>
10346966

$$$$