LMPK12113229
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0  0  0  0  0  0  0  0999 V2000
   12.1333    7.8701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1391    8.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9687    7.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8579    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8834    8.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0109    9.3698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5785    8.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7310    9.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3032    9.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4126    8.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    7.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2416    7.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4833    9.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4606   10.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5858   10.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7577   10.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2579    6.3705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9848    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7346    7.3501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5357    9.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3332   10.9146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3268    8.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6670    8.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3032   10.2540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4346   10.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7982    9.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9295    8.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9295    7.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2964    9.1575    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
 21 14  1  0  0  0  0
 13 22  1  0  0  0  0
 20 23  1  0  0  0  0
  9 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 22 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113229

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one

> <FORMULA>
C22H22O8

> <MASS>
414.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PCGBPGFXCMADGM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H22O8/c1-11(2)7-8-29-16-10-14(24)17-18(25)19(26)20(30-22(17)21(16)28-4)12-5-6-13(23)15(9-12)27-3/h5-7,9-10,23-24,26H,8H2,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179274

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15491285

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1226092

> <CITATION>
-

$$$$