LMPK12140456
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    9.5452    9.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4387   10.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5493    8.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4479    8.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3413    8.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3368    9.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2393    8.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1326    8.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1282    9.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2302   10.4309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9479   10.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8455    9.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7392   10.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7353   11.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8376   11.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9439   11.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2407    7.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7611   10.3545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4479    7.4666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5265   11.8933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8376   12.8485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7836   13.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5873    9.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6045   10.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9247    5.5677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0182    5.0714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6400    6.4726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8030    7.9200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2703    7.9570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4972    7.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2356    6.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2797    6.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5907    6.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8523    7.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1633    8.3716    0.0000 C   0  0  0  0  0  0  0  0  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
 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
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  4 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
 29 35  1  0     0  0
 34 28  1  0     0  0
 28 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  1     0  0
 30 19  1  1     0  0
 31 25  1  6     0  0
 32 26  1  1     0  0
 33 27  1  6     0  0
M  END
> <LM_ID>
LMPK12140456

> <COMMON_NAME>
Peruvianoside I

> <SYSTEMATIC_NAME>
(2R)-5,7,4'-Trihydroxy-3',5'-methoxyflavanone 5-glucoside

> <FORMULA>
C23H26O12

> <MASS>
494.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Pervianoside I

> <INCHI_KEY>
JUTUYETVYPXSNI-XFUZCVDFSA-N

> <INCHI>
InChI=1S/C23H26O12/c1-31-15-3-9(4-16(32-2)19(15)27)12-7-11(26)18-13(33-12)5-10(25)6-14(18)34-23-22(30)21(29)20(28)17(8-24)35-23/h3-6,12,17,20-25,27-30H,7-8H2,1-2H3/t12-,17-,20-,21+,22-,23-/m1/s1

> <SMILES>
C1(O)C=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2C(=O)C[C@H](C3C=C(OC)C(O)=C(OC)C=3)OC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10368466

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 52862

> <CITATION>
12036017

$$$$