LMPK12113420
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0            999 V2000
   10.3651   -5.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3651   -6.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2383   -7.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1116   -6.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1116   -5.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2383   -5.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9847   -7.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8580   -6.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8580   -5.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9847   -5.1729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2383   -8.1974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4922   -7.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4922   -5.1732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6211   -6.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7521   -7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8829   -6.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7521   -8.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7312   -7.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4757   -7.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6047   -6.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4763   -8.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7318   -8.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6082   -8.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8605   -8.7100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3504   -8.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3723   -8.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
  2 12  1  0  0  0  0
  1 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  1     0  0
 20 18  2  0     0  0
 18 22  1  0     0  0
 22 23  2  0     0  0
 23 21  1  0     0  0
 21 19  2  0     0  0
 19 20  1  0     0  0
 22 24  1  0     0  0
 21 25  1  0     0  0
 11 26  1  0     0  0
M  END
> <LM_ID>
LMPK12113420

> <COMMON_NAME>
Glyasperin C

> <SYSTEMATIC_NAME>
(R)-4-(7-Hydroxy-5-methoxy-6-(3-methylbut-2-en-1-yl)chroman-3-yl)benzene-1,3-diol

> <FORMULA>
C21H24O5

> <MASS>
356.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RCZMWVKBVFOCEE-ZDUSSCGKSA-N

> <INCHI>
InChI=1S/C21H24O5/c1-12(2)4-6-16-19(24)10-20-17(21(16)25-3)8-13(11-26-20)15-7-5-14(22)9-18(15)23/h4-5,7,9-10,13,22-24H,6,8,11H2,1-3H3/t13-/m0/s1

> <SMILES>
C1(O)=CC2OC[C@@H](C3C(O)=CC(O)=CC=3)CC=2C(OC)=C1C/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
69089

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
480859

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 74709

> <CITATION>
-

$$$$