LMPK12020109
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
    7.5976    9.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5976    8.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4527    7.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3077    8.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3077    9.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4527    9.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1627    7.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0179    8.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0179    9.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1627    9.8387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.8445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8827    9.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7475    9.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6123    9.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6123   10.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7475   11.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8827   10.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7475   12.3410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8827    7.8585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4772   11.3424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8827    6.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0179    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4527    6.8654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7475    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6123    6.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4772    7.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4772    8.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3420    8.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6123    7.8585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2327    8.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1234    8.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1234    9.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2328   10.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3420    9.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2328   11.3986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9882   10.3851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4772    6.3606    0.0000 H   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
  1 11  1  0  0  0  0
  9 12  1  6  0  0  0
 12 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
  8 19  1  1  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
  3 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 25 29  1  0  0  0  0
 28 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 28  1  0  0  0  0
 33 35  1  0  0  0  0
 32 36  1  0  0  0  0
 25 37  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020109

> <COMMON_NAME>
Phylloflavan

> <SYSTEMATIC_NAME>
(-)-beta,3,4-Trihydroxybenzenepentanoic acid 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester

> <FORMULA>
C26H26O10

> <MASS>
498.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FKDRTLFRRHQTGU-TYFWRAIDSA-N

> <INCHI>
InChI=1S/C26H26O10/c27-15(4-1-13-2-5-18(29)21(32)7-13)11-25(34)35-24-12-17-20(31)9-16(28)10-23(17)36-26(24)14-3-6-19(30)22(33)8-14/h2-3,5-10,15,24,26-33H,1,4,11-12H2/t15-,24-,26+/m0/s1

> <SMILES>
C1(O)C=C2O[C@H](C3C=C(O)C(O)=CC=3)[C@@H](OC(C[C@@]([H])(O)CCC3C=C(O)C(O)=CC=3)=O)CC2=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179873

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
457885

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 50183

> <CITATION>
-

$$$$