LMPK12110356
  LIPID_MAPS_STRUCTURE_DATABASE

 41 45  0  0  0  0  0  0  0  0999 V2000
   12.4069   10.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4069    9.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2576    8.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1079    9.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1079   10.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2576   10.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9587    8.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8092    9.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8092   10.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9587   10.5533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9587    7.8235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6593   10.5531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5261   10.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3931   10.5531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3931   11.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5261   12.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6593   11.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5567   10.5531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2576    7.6074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2598   12.0546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8647    8.6114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8521    8.2566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5435    9.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9002   11.1370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2844   11.3857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5599   10.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2105    9.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2013    9.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5473    9.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8967   10.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2424   11.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4207    7.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0515    5.2768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1297    4.5955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7173    7.2636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6819    7.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4598    6.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2734    5.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3126    5.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5348    6.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5738    5.9200    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; 269721

> <CITATION>
-

$$$$