LMPK12020034
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    8.4344   10.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5830   10.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5830    9.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2857    9.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2857   10.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1372    8.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9886    9.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9886   10.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1372   10.7789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9665   11.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8433   10.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7204   11.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7202   12.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8433   12.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9665   12.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.7783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4344    8.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5964   12.5517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4344    7.8309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1372    7.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875    7.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8361    7.8298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875    6.3601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8389    8.8134    0.0000 O   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
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  6  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  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 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  2  0  0  0  0
 17  4  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
  6 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  7 24  1  6  0  0  0
M  END
> <LM_ID>
LMPK12020034

> <COMMON_NAME>
3'-Deoxydryopteric acid

> <SYSTEMATIC_NAME>
(2R,4S)-3,4-Dihydro-2alpha-(4-hydroxyphenyl)-3alpha,5,7-trihydroxy-2H-1-benzopyran-4-acetic acid

> <FORMULA>
C17H16O7

> <MASS>
332.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FCSOHSUDNFXNPU-YMRXKLBXSA-N

> <INCHI>
InChI=1S/C17H16O7/c18-9-3-1-8(2-4-9)17-16(23)11(7-14(21)22)15-12(20)5-10(19)6-13(15)24-17/h1-6,11,16-20,23H,7H2,(H,21,22)/t11-,16+,17+/m0/s1

> <SMILES>
C1C2O[C@H](C3C=CC(O)=CC=3)[C@H](O)[C@@H](CC(O)=O)C=2C(O)=CC=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187235

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10088118

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 194882

> <CITATION>
-

$$$$