LMPK12050372
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
   12.7990    9.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7990    8.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6986    7.9351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5984    8.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5984    9.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6986   10.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4981    7.9351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3980    8.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3980    9.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4981   10.0130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8998   10.0126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4981    7.0923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2969    7.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2969    6.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1313    6.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9661    6.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9661    7.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1313    8.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7987    6.4911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6986    7.1578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0478    8.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0477    7.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0237    8.1679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9878    8.0044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8330    9.6832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3019   10.7715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7227   11.2654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8844    9.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4463    9.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4257    8.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8484    9.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2865   10.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7091   11.5279    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
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  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 18  1  0  0  0  0
 18 13  2  0  0  0  0
 16 19  1  0  0  0  0
  3 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0     0  0
 27 33  1  0     0  0
 32 26  1  0     0  0
 26 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  0     0  0
 32 33  1  1     0  0
 28 11  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  6     0  0
M  END
> <LM_ID>
LMPK12050372

> <COMMON_NAME>
Tectoridin

> <SYSTEMATIC_NAME>
3-(4-Hydroxyphenyl)-5-hydroxy-7-[(beta-D-glucopyranosyl)oxy]-6-methoxy-4H-1-benzopyran-4-one

> <FORMULA>
C22H22O11

> <MASS>
462.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Shekanin

> <INCHI_KEY>
CNOURESJATUGPN-UDEBZQQRSA-N

> <INCHI>
InChI=1S/C22H22O11/c1-30-21-13(32-22-20(29)19(28)17(26)14(7-23)33-22)6-12-15(18(21)27)16(25)11(8-31-12)9-2-4-10(24)5-3-9/h2-6,8,14,17,19-20,22-24,26-29H,7H2,1H3/t14-,17-,19+,20-,22-/m1/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC=C(C3=CC=C(O)C=C3)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
C10533

> <HMDB_ID>
-

> <CHEBI_ID>
9428

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281810

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 114617

> <CITATION>
-

$$$$