LMPK12111472
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.5455   -7.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5475   -8.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3538   -8.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1580   -8.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1560   -7.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3498   -6.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9643   -8.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7685   -8.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7665   -7.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9602   -6.7074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9661   -9.4968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5707   -6.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3924   -7.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2121   -6.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2101   -5.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3884   -5.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5685   -5.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7393   -6.7143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3557   -9.5004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0143   -5.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3949   -5.7120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2826   -5.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6825   -8.6091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8154   -8.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3864   -4.2809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2514   -3.7791    0.0000 C   0  0  0  0  0  0  0  0  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
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
  6 21  1  0     0  0
 21 22  1  0     0  0
  2 23  1  0     0  0
 23 24  1  0     0  0
 16 25  1  0     0  0
 25 26  1  0     0  0
M  END
> <LM_ID>
LMPK12111472

> <COMMON_NAME>
Sudachitin

> <SYSTEMATIC_NAME>
4',5,7-Trihydroxy-3',6,8-trimethoxyflavone

> <FORMULA>
C18H16O8

> <MASS>
360.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Menthokubanone

> <INCHI_KEY>
XRHHDQSPFPQKMS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)11-7-10(20)13-14(21)17(24-2)15(22)18(25-3)16(13)26-11/h4-7,19,21-22H,1-3H3

> <SMILES>
C1(O)=C(OC)C2OC(C3C=C(OC)C(O)=CC=3)=CC(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037335

> <CHEBI_ID>
175611

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12443122

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 558546

> <CITATION>
-

$$$$