LMPK12112538
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.7032    6.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6935    7.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4144    6.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1282    6.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1226    7.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4024    7.9011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5523    7.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8364    7.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9824    7.8844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2683    7.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2754    6.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9872    6.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2575    7.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2386    8.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5213    9.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8203    8.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9872    5.4114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4144    5.4283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8421    6.2566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9824    8.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2673    9.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9523    9.1859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2673    9.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5368   10.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9649   10.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6999    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  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  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  2  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  1  2  0  0  0  0
  7 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  8  2  0  0  0  0
 12 17  1  0  0  0  0
  3 18  2  0  0  0  0
  4 19  1  0  0  0  0
 10 20  1  0  0  0  0
  9 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 14  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112538

> <COMMON_NAME>
Sophoflavescenol

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O6

> <MASS>
368.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VMLJAWUWVVHRNG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O6/c1-11(2)4-9-14-15(23)10-16(26-3)17-18(24)19(25)20(27-21(14)17)12-5-7-13(22)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3

> <SMILES>
C12=C(OC)C=C(O)C(C/C=C(\C)/C)=C1OC(C1=CC=C(O)C=C1)=C(O)C2=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9929189

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$