LMPK12140224
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.8517    9.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8517    8.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7035    7.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5550    8.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5550    9.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7035    9.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4068    7.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2587    8.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2587    9.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4068    9.5634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4068    6.8298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1100    9.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9779    9.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8459    9.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8459   10.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9779   11.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1100   10.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7138   11.0665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0003    9.5632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7035    6.6135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8474   10.5752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8475   12.6565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6470   13.6926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5510   11.0960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2630   13.6755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6482   10.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7472   11.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7486   12.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6483   12.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5494   12.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4492   12.6521    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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  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
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 25 31  1  0     0  0
 30 24  1  0     0  0
 24 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  1     0  0
 27 21  1  6     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
 26  6  1  1     0  0
M  END
> <LM_ID>
LMPK12140224

> <COMMON_NAME>
Isohemiphloin

> <SYSTEMATIC_NAME>
(S)-8-beta-D-Glucopyranosyl-4',5,7-trihydroxyflavanone

> <FORMULA>
C21H22O10

> <MASS>
434.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(2S)-8-beta-D-Glucopyranosyl-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

> <INCHI_KEY>
VPQWOQSQAVBHEV-VHLXACGYSA-N

> <INCHI>
InChI=1S/C21H22O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-5,13-14,17-19,21-25,27-29H,6-7H2/t13-,14+,17+,18-,19+,21-/m0/s1

> <SMILES>
C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
80529

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607891

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3932

> <CITATION>
-

$$$$