LMPK12113164
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.0957    9.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0957    8.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8970    7.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6978    8.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6978    9.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8970    9.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4988    7.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2999    8.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2999    9.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4988    9.4896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4988    6.7150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1009    9.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9170    9.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7334    9.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7334   10.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9170   10.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1009   10.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    9.4896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946   10.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1010    7.6398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3479    8.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8970   10.4147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1437   11.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8970    6.7149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9257    6.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5346   10.8948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5634   10.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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  1  2  0  0  0  0
  4  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  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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
  8 20  1  0  0  0  0
  6 22  1  0  0  0  0
  3 24  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113164

> <COMMON_NAME>
Herbacetin pentamethyl ether

> <SYSTEMATIC_NAME>
3,5,7,8,4'-Pentamethoxyflavone

> <FORMULA>
C20H20O7

> <MASS>
372.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Flindulatin-5-methyl ether

> <INCHI_KEY>
OJHAJXCULJNLPI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)17-20(26-5)16(21)15-13(23-2)10-14(24-3)18(25-4)19(15)27-17/h6-10H,1-5H3

> <SMILES>
C1(OC)=C(OC)C2OC(C3C=CC(OC)=CC=3)=C(OC)C(=O)C=2C(OC)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10981555

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1226072

> <CITATION>
-

$$$$