LMPK12112290
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0  0  0  0  0  0  0  0999 V2000
    9.3184    7.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3232    8.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1664    7.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0429    7.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0533    8.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1904    9.0565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7747    8.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9181    9.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4751    9.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5975    8.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5911    7.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4437    7.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6529    9.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6128   10.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7247   10.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9140   10.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4437    6.0689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1664    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9076    7.0461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.0756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4777   10.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7247   11.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5178    8.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3926    9.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2522    8.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2522    7.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1195    9.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4751   10.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6143   10.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6143   11.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7505   12.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4799   12.0610    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
 21 14  1  0  0  0  0
 15 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  9 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112290

> <COMMON_NAME>
Broussonol D

> <SYSTEMATIC_NAME>
2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-3,5,7-trihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C25H26O7

> <MASS>
438.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XFBBCGNJNJKLKS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O7/c1-12(2)5-7-14-9-15(10-19(28)21(14)29)24-23(31)22(30)20-18(27)11-17(26)16(25(20)32-24)8-6-13(3)4/h5-6,9-11,26-29,31H,7-8H2,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10365850

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 66380

> <CITATION>
11575957

$$$$