LMPK12130074
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.9042    8.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042    7.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7477    7.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7477    8.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5911    7.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5911    8.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4344    8.9843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2800    8.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2789    7.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9677    6.8327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1235    8.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1235    9.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9676   10.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9674   11.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236   11.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2806   11.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2807   10.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    8.9825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8109   11.9029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7477    6.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236   12.8765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4344   11.9040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0642    8.0414    0.0000 O   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
M  END
> <LM_ID>
LMPK12130074

> <COMMON_NAME>
Amaronol A

> <SYSTEMATIC_NAME>
(+)- 2,4,6-Trihydroxy-2-[(3,4,5-trihydroxyphenyl)methyl]-3(2H)-benzofuranone

> <FORMULA>
C15H12O8

> <MASS>
320.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KZFYMOSMINTUQG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H12O8/c16-7-3-8(17)12-11(4-7)23-15(22,14(12)21)5-6-1-9(18)13(20)10(19)2-6/h1-4,16-20,22H,5H2

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187448

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
485521

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3355

> <CITATION>
10346966

$$$$