LMPK12110415
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.3314    7.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3314    8.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4651    9.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5988    8.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5988    7.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4651    7.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1976    7.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0639    7.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0639    8.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1976    9.3616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9302    9.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7965    8.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6627    9.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6627   10.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7965   10.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9302   10.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1976    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5291   10.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4651    6.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5291    8.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3940    9.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2588    8.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1235    9.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2588    7.8628    0.0000 C   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  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  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  2  1  0  0  0  0
  9 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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
 18 14  1  0  0  0  0
  4 19  1  0  0  0  0
  6 20  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110415

> <COMMON_NAME>
Yinyanghuo D

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one

> <FORMULA>
C20H18O5

> <MASS>
338.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PFQMUQWFRINBBG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-10,21-23H,4H2,1-2H3

> <SMILES>
C12C(=O)C=C(C3C=CC(O)=C(C/C=C(\C)/C)C=3)OC=1C=C(O)C=C2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187282

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5315396

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 253616

> <CITATION>
-

$$$$