LMPK12110562
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.3617    7.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3498    8.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2319    7.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1055    7.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0984    8.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2174    9.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8478    8.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9720    9.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4798    9.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6060    8.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6147    7.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4857    7.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7108    9.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6875   10.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8098   10.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9521   10.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4857    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2319    6.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9788    7.0947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.0814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4798   10.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6047   10.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5610   10.6789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6047   11.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8405   11.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5083   11.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4329   10.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6047   12.6011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4782   13.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  2  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  1  2  0  0  0  0
  7 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  8  2  0  0  0  0
 12 17  1  0  0  0  0
  3 18  2  0  0  0  0
  4 19  1  0  0  0  0
 10 20  1  0  0  0  0
  9 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 14  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110562

> <COMMON_NAME>
Brevicornin

> <SYSTEMATIC_NAME>
3,5,7-trihydroxy-4'-methoxy-8-(3"-methoxyisopentyl)flavone

> <FORMULA>
C22H24O7

> <MASS>
400.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YUCRNUHJPUHOKK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H24O7/c1-22(2,28-4)10-9-14-15(23)11-16(24)17-18(25)19(26)20(29-21(14)17)12-5-7-13(27-3)8-6-12/h5-8,11,23-24,26H,9-10H2,1-4H3

> <SMILES>
C12=C(O)C=C(O)C(CCC(OC)(C)C)=C1OC(C1=CC=C(OC)C=C1)=C(O)C2=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15291301

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 253618

> <CITATION>
-

$$$$