LMPK12113138
  LIPID_MAPS_STRUCTURE_DATABASE

 40 43  0     0  0            999 V2000
    9.5411    8.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5411    7.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4416    7.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3419    7.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3419    8.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4416    9.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2424    7.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1428    7.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1428    8.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2424    9.3853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2424    6.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0430    9.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9608    8.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8785    9.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8785   10.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9608   10.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0430   10.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4416    6.2664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1634   11.0589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7400    9.3853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1364    7.2521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4416   10.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7154   11.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7297   13.4394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4674   14.4235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3190   11.9201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4474   11.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5843   11.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5928   12.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4616   13.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3246   12.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8536   11.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834   11.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8620   12.9450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7367   14.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8741   14.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6061   14.9334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3363   14.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3421   15.9185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1994   14.4135    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
  3 18  1  0  0  0  0
 19 15  1  0  0  0  0
 20  1  1  0  0  0  0
 21  8  1  0  0  0  0
  6 22  1  0  0  0  0
 31 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  0     0  0
 27 22  1  1     0  0
 28 23  1  6     0  0
 29 24  1  1     0  0
 30 25  1  6     0  0
 23 32  1  0     0  0
 32 33  1  0     0  0
 32 34  2  0     0  0
 24 35  1  0     0  0
 35 36  1  0     0  0
 35 37  2  0     0  0
 25 38  1  0     0  0
 38 39  2  0     0  0
 38 40  1  0     0  0
M  END
> <LM_ID>
LMPK12113138

> <COMMON_NAME>
Herbacetin 8-(2'',3'',4''-triacetylxyloside)

> <SYSTEMATIC_NAME>


> <FORMULA>
C26H24O14

> <MASS>
560.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UUUFLHFLFWPUFF-ZTNKVBRBSA-N

> <INCHI>
InChI=1S/C26H24O14/c1-10(27)36-17-9-35-26(25(38-12(3)29)23(17)37-11(2)28)40-22-16(32)8-15(31)18-19(33)20(34)21(39-24(18)22)13-4-6-14(30)7-5-13/h4-8,17,23,25-26,30-32,34H,9H2,1-3H3/t17-,23+,25-,26+/m1/s1

> <SMILES>
C1(O)=C(O[C@H]2[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(C)=O)CO2)C2OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259954

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$