LMPK12140414
  LIPID_MAPS_STRUCTURE_DATABASE

 37 41  0  0  0  0  0  0  0  0999 V2000
    5.7823   -7.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6363   -6.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7823   -8.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6363   -8.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4900   -8.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4900   -7.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292   -8.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1685   -8.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1685   -7.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292   -6.9109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1685   -6.4262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292   -9.8183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0079   -5.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8616   -5.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0079   -6.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8616   -7.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7154   -6.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7154   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5547   -7.4454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3941   -6.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3941   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5547   -5.5071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2334   -5.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0700   -5.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9066   -5.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9066   -4.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0700   -4.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2334   -4.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3941   -5.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8787   -7.8001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7459   -4.0567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6363   -9.7933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9430   -6.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7459   -5.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3632   -6.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0682   -8.1818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7459   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 35 36  1  0  0  0  0
  1  2  2  0  0  0  0
  1  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  2  1  0  0  0  0
  5  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  6  1  0  0  0  0
  9 11  1  1  0  0  0
  7 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 21 29  1  1  0  0  0
 15  9  1  0  0  0  0
 20 30  1  6  0  0  0
 26 31  1  0  0  0  0
  4 32  1  0  0  0  0
  1 33  1  0  0  0  0
 25 34  1  0  0  0  0
 20 35  1  1  0  0  0
 34 37  1  0     0  0
M  END
> <LM_ID>
LMPK12140414

> <COMMON_NAME>
Silandrin

> <SYSTEMATIC_NAME>
(2S)-2alpha-[[(2R,3R)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin]-6-yl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one

> <FORMULA>
C25H22O9

> <MASS>
466.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CRPGUMMYQABYES-DNVKUUNQSA-N

> <INCHI>
InChI=1S/C25H22O9/c1-31-20-7-13(2-4-15(20)28)25-23(11-26)33-21-6-12(3-5-18(21)34-25)19-10-17(30)24-16(29)8-14(27)9-22(24)32-19/h2-9,19,23,25-29H,10-11H2,1H3/t19-,23+,25+/m0/s1

> <SMILES>
C1(O)C=C(O)C2C(=O)C[C@](C3=CC4O[C@@](CO)([H])[C@@]([H])(C5C=CC(O)=C(OC)C=5)OC=4C=C3)([H])OC=2C=1

> <KEGG_ID>
C08600

> <HMDB_ID>
-

> <CHEBI_ID>
9138

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
441663

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 92921

> <CITATION>
17402024

$$$$