LMPK12020005
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    7.6010    8.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6010    7.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4622    7.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3234    7.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3234    8.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4622    9.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1848    7.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0460    7.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0460    8.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1848    9.3631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9145    9.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7857    8.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6568    9.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6568   10.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7857   10.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9145   10.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9145    7.3700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5252   10.8746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5252    8.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5252    7.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3936    7.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3936    6.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2620    7.8632    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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  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
  8 17  1  1  0  0  0
 14 18  1  0  0  0  0
  1 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020005

> <COMMON_NAME>
Broussinol

> <SYSTEMATIC_NAME>
(2R,3S)-3,4-Dihydro-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-2H-1-benzopyran-3,7-diol

> <FORMULA>
C20H22O4

> <MASS>
326.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PTZNBCJWCJFLPQ-AZUAARDMSA-N

> <INCHI>
InChI=1S/C20H22O4/c1-12(2)3-4-13-9-15(6-8-17(13)22)20-18(23)10-14-5-7-16(21)11-19(14)24-20/h3,5-9,11,18,20-23H,4,10H2,1-2H3/t18-,20+/m0/s1

> <SMILES>
C1(O)C=C2O[C@H](C3C=CC(O)=C(C/C=C(\C)/C)C=3)[C@@H](O)CC2=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178216

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257049

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 172644

> <CITATION>
-

$$$$