LMPK12110064
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0  0  0  0  0  0  0  0999 V2000
   12.1106    7.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1106    8.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2438    9.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3769    8.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3769    7.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2438    7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9773    7.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8440    7.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8440    8.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9773    9.2584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7108    9.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5776    8.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4443    9.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4443   10.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5776   10.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7108   10.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9773    6.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5103    9.2584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5117    7.2575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6478    7.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6435    8.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1882   10.9290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7811   11.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7857   11.7387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7840    7.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9215    7.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9215    8.7498    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
  5 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 15  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110064

> <COMMON_NAME>
Millettocalyxin B

> <SYSTEMATIC_NAME>
2-(1,3-Benzodioxol-5-yl)-7-methoxy-6-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one

> <FORMULA>
C22H20O6

> <MASS>
380.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SGQVUQLRURNBCN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H20O6/c1-13(2)6-7-25-22-9-15-16(23)10-18(28-19(15)11-20(22)24-3)14-4-5-17-21(8-14)27-12-26-17/h4-6,8-11H,7,12H2,1-3H3

> <SMILES>
C12C(=O)C=C(C3C=C4OCOC4=CC=3)OC=1C=C(OC)C(OC/C=C(\C)/C)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11143397

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1679271

> <CITATION>
11975509

$$$$