LMPK12111058
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    9.6626   -4.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6626   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5718   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4809   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4809   -4.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5718   -3.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3904   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2995   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2995   -4.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3904   -3.6295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3904   -6.5478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7538   -3.6297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5718   -6.7786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3096   -3.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2675   -4.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2257   -3.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2257   -2.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2675   -1.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3096   -2.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9635   -1.9110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1832   -4.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5915   -7.2382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580   -8.2390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1297   -7.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8577   -5.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3669   -5.8842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7273   -5.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7273   -6.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8577   -7.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -6.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -5.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1297   -5.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7539   -2.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8913   -2.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0491   -3.6487    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
  1 12  1  0  0  0  0
  3 13  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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 14  9  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 27  2  1  1     0  0
 12 33  1  0     0  0
 20 34  1  0     0  0
 21 35  1  0     0  0
M  END
> <LM_ID>
LMPK12111058

> <COMMON_NAME>
Isoorientin 7,3',4'-trimethyl ether

> <SYSTEMATIC_NAME>
3',4',7-Tri-O-methylisoorientin

> <FORMULA>
C24H26O11

> <MASS>
490.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2-(3,4-Dimethoxyphenyl)-6-beta-D-glucopyranosyl-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one

> <INCHI_KEY>
BEOVASOPYVJANG-VYJJCVKJSA-N

> <INCHI>
InChI=1S/C24H26O11/c1-31-12-5-4-10(6-14(12)32-2)13-7-11(26)18-16(34-13)8-15(33-3)19(21(18)28)24-23(30)22(29)20(27)17(9-25)35-24/h4-8,17,20,22-25,27-30H,9H2,1-3H3/t17-,20-,22+,23-,24+/m1/s1

> <SMILES>
C1(OC)=CC2OC(C3C=CC(OC)=C(OC)C=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258389

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$