LMPK12110356
  LIPID_MAPS_STRUCTURE_DATABASE

 41 45  0     0  0            999 V2000
   12.1519    9.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1519    8.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9851    8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8179    8.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8179    9.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9851   10.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6512    8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4842    8.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4842    9.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6512   10.3364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6512    7.6627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3169   10.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1659    9.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0150   10.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0150   11.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1659   11.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3169   11.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3192   10.3362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9851    7.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8639   11.8068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    8.4344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6701    8.0869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3884    9.6182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6967   10.9081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1347   11.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3428   10.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0006    9.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0122    9.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3716    9.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138   10.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0730   11.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1654    7.1371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8038    5.1683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9215    4.5010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5176    7.1143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4623    7.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2242    6.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0417    5.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1006    5.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3388    6.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3976    5.7983    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  2  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  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 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 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
 40 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 39 40  1  0     0  0
 40 41  1  6     0  0
 36 21  1  1     0  0
 37 32  1  6     0  0
 38 33  1  6     0  0
 39 34  1  1     0  0
 26 18  1  1     0  0
M  END
> <LM_ID>
LMPK12110356

> <COMMON_NAME>
Apigenin 7-neohesperidoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C27H30O14

> <MASS>
578.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RPMNUQRUHXIGHK-PYXJVEIZSA-N

> <INCHI>
InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1

> <SMILES>
C1(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1

> <KEGG_ID>
C12627

> <HMDB_ID>
-

> <CHEBI_ID>
31227

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282150

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$