LMPK12020151
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    9.4427    7.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4427    8.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5393    9.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6360    8.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6360    7.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5393    7.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3459    7.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2492    7.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2492    8.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3459    9.2597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1526    9.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0027    8.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8528    9.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8528   10.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0027   10.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1526   10.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.2597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0027   11.7754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2500    7.1174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5393    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6601   10.7075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5393   10.0539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9326    7.2891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  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
  1  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  2  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
  4 17  1  0  0  0  0
 18 15  1  0  0  0  0
  8 19  1  1  0  0  0
  6 20  1  0  0  0  0
 14 21  1  0  0  0  0
  3 22  1  0  0  0  0
  5 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020151

> <COMMON_NAME>
Elephantorrhizol

> <SYSTEMATIC_NAME>
(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,6,7,8-pentol

> <FORMULA>
C15H14O8

> <MASS>
322.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PONGJRZSHJPTOF-LKFCYVNXSA-N

> <INCHI>
InChI=1S/C15H14O8/c16-7-2-1-5(3-8(7)17)14-9(18)4-6-10(19)11(20)12(21)13(22)15(6)23-14/h1-3,9,14,16-22H,4H2/t9-,14+/m0/s1

> <SMILES>
C12C[C@H](O)[C@@H](C3C=C(O)C(O)=CC=3)OC=1C(O)=C(O)C(O)=C2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186350

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11988716

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 992692

> <CITATION>
-

$$$$