LMPK12110479
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    6.8098   -6.9564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8098   -7.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7048   -8.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5999   -7.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5999   -6.9564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7048   -6.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4948   -8.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3898   -7.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3898   -6.9564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4948   -6.4396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4948   -9.3121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9153   -6.4399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3840   -6.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3168   -6.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2698   -6.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2897   -5.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3567   -4.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4040   -5.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1847   -4.8359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7048   -9.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3567   -3.7574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9631   -5.4085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9632   -3.4068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6939   -2.4105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5632   -4.9078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2481   -2.4269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6951   -5.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8285   -4.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8298   -3.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6952   -3.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5617   -3.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4271   -3.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0107   -1.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8318   -0.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9522   -2.1170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0977   -4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2311   -5.4062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0991   -3.9073    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
  1 12  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 13  9  1  0  0  0  0
 16 19  1  0  0  0  0
  3 20  1  0  0  0  0
 17 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 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  0     0  0
 31 32  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 27  6  1  1     0  0
 26 33  1  0     0  0
 33 34  1  0     0  0
 33 35  2  0     0  0
 22 36  1  0     0  0
 36 37  2  0     0  0
 36 38  1  0     0  0
M  END
> <LM_ID>
LMPK12110479

> <COMMON_NAME>
Orientin 2'',6''-diacetate

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H24O13

> <MASS>
532.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IOPSQVHEVILLRN-LNWLOANASA-N

> <INCHI>
InChI=1S/C25H24O13/c1-9(26)35-8-18-21(33)22(34)25(36-10(2)27)24(38-18)20-15(31)6-14(30)19-16(32)7-17(37-23(19)20)11-3-4-12(28)13(29)5-11/h3-7,18,21-22,24-25,28-31,33-34H,8H2,1-2H3/t18-,21-,22+,24+,25-/m1/s1

> <SMILES>
C1(O)=C([C@H]2[C@H](OC(C)=O)[C@@H](O)[C@H](O)[C@@H](COC(=O)C)O2)C2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14681457

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$