LMPK12110118
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.9724    8.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9724    7.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8371    7.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7018    7.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7018    8.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8371    9.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5666    7.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4313    7.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4313    8.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5666    9.4345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5666    6.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3127    9.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1940    8.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0753    9.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0753   10.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1940   10.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3127   10.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4316   10.9704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8371    6.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0912    9.4441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4755    9.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6751    9.9728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9327   10.9953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9494   13.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5676   12.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7577   14.3555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5618   11.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6836   10.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8108   11.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8194   12.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6976   13.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7060   14.0086    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
 17 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 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
 27 18  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
M  END
> <LM_ID>
LMPK12110118

> <COMMON_NAME>
Echioidin

> <SYSTEMATIC_NAME>
2-[2-(beta-D-Glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one

> <FORMULA>
C22H22O10

> <MASS>
446.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NCWUWWMZUSHZKJ-MIUGBVLSSA-N

> <INCHI>
InChI=1S/C22H22O10/c1-29-10-6-12(24)18-13(25)8-15(30-16(18)7-10)11-4-2-3-5-14(11)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1

> <SMILES>
C1(OC)=CC2OC(C3C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=CC=3)=CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9496891

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 526786

> <CITATION>
-

$$$$