LMPK12110160
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0  0  0  0  0  0  0  0999 V2000
    7.4386    6.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4386    7.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6901    7.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6901    6.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1871    6.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9356    6.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9356    7.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1871    7.8941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6841    7.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4326    7.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1812    7.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1812    8.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4326    9.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6841    8.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1871    5.4662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9416    6.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9416    7.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6901    5.4322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9416    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6901    8.7584    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9416    9.1906    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1930    8.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.8941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3324    9.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9808   10.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1213   10.0359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9808   10.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5463   10.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8452    9.3367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5238    9.3791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9416    8.4064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 17  2  0  0  0  0
 16  4  2  0  0  0  0
  4  1  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  5 15  2  0  0  0  0
 17 16  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 24 29  2  0  0  0  0
 20 30  1  6  0  0  0
 21 31  1  6  0  0  0
M  END
> <LM_ID>
LMPK12110160

> <COMMON_NAME>
Stachyoidin

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H20O6

> <MASS>
392.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IBYJDRSNJZQSAQ-YLJYHZDGSA-N

> <INCHI>
InChI=1S/C23H20O6/c1-23(2)22(25)20-17(29-23)11-27-16-10-15(26-3)18-13(24)9-14(28-21(18)19(16)20)12-7-5-4-6-8-12/h4-10,17,20H,11H2,1-3H3/t17-,20-/m1/s1

> <SMILES>
C12C(=O)C=C(C3C=CC=CC=3)OC=1C1[C@]3([H])C(=O)C(C)(C)O[C@]3([H])COC=1C=C2OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257634

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$