LMPK12140457
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    9.6987   10.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6066   10.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7028    9.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6159    8.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5237    9.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5191   10.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4361    8.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3438    9.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3393   10.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4269   10.5986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1722   10.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0842   10.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9923   10.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9883   11.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0762   12.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1681   11.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4375    7.6774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9020   10.5210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6159    7.5867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7922   12.0845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0762   13.0551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0374   13.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8540   10.0719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8876   10.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6018    5.5853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8611    4.5969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1401    5.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8823    7.5990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3868    6.9693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7483    7.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7412    6.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8681    5.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0077    6.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0148    7.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542    7.6111    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  6  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>
LMPK12140457

> <COMMON_NAME>
Peruvianoside II

> <SYSTEMATIC_NAME>
(2S)-2,7,4'-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>


> <INCHI_KEY>
JUTUYETVYPXSNI-MCCOEBRUSA-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+/m0/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>
9983198

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$