LMPK12110056
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0  0  0  0  0999 V2000
    7.8572    6.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8572    7.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1426    7.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4280    7.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4280    6.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1426    5.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5718    5.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2863    6.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2863    7.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5718    7.5654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0010    7.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7156    7.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302    7.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302    8.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7156    8.8031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0010    8.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5718    5.0899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7134    7.5654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2149    7.3104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6999    7.9780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2149    8.6455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7156    6.3290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4290    5.9171    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  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  9 11  1  0  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
  7 17  2  0  0  0  0
  4 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 14  1  0  0  0  0
 18 22  1  0  0  0  0
 12 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110056

> <COMMON_NAME>
Millettocalyxin A

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H14O6

> <MASS>
326.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WTLDVCUMPOWRCG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H14O6/c1-20-10-3-4-11-13(19)8-16(24-15(11)7-10)12-5-6-14-18(17(12)21-2)23-9-22-14/h3-8H,9H2,1-2H3

> <SMILES>
C12C(=O)C=C(C3C=CC4OCOC=4C=3OC)OC=1C=C(OC)C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196322

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257581

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$