LMPK12030017
  LIPID_MAPS_STRUCTURE_DATABASE

 41 47  0     0  0            999 V2000
    7.5986   12.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986   11.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646   11.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307   11.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307   12.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646   13.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1968   11.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0628   11.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0628   12.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1968   13.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9288   13.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   13.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948   12.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6608   13.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6608   14.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948   14.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9288   14.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5268   14.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646   10.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3038   12.0356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5878   10.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4538   10.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5878    9.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4538    8.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3198    9.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3198   10.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7218    8.9356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7218    7.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5878    7.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4538    7.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8557    7.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9896    7.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1236    7.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1236    6.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9896    5.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8557    6.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2576    5.9356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5878    6.4356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1858    8.9356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6878   11.2446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3198    7.4356    0.0000 O   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
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  1 12  1  0  0  0  0
 11 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 11  1  0  0  0  0
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
  9 20  1  6  0  0  0
  7 21  1  6  0  0  0
 20 22  1  0  0  0  0
 22 21  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 22  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 24  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 31  2  0  0  0  0
 34 37  1  0  0  0  0
 29 38  1  0  0  0  0
 25 39  1  0  0  0  0
  8 40  1  1     0  0
 30 41  2  0     0  0
M  END
> <LM_ID>
LMPK12030017

> <COMMON_NAME>
Ephedrannin A

> <SYSTEMATIC_NAME>
3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,4',5,7-tetrahydroxyflavone

> <FORMULA>
C30H20O11

> <MASS>
556.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Proanthocyanidins [PK1203]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Ent-Epiafzelechin(2a->O-7,4a->8)kaempferol

> <INCHI_KEY>
GPBSBBVDERLESN-QZFRTWIZSA-N

> <INCHI>
InChI=1S/C30H20O11/c31-14-5-1-12(2-6-14)27-26(37)25(36)22-18(35)11-20-23(28(22)39-27)24-21-17(34)9-16(33)10-19(21)40-30(41-20,29(24)38)13-3-7-15(32)8-4-13/h1-11,24,29,31-35,37-38H/t24-,29-,30+/m0/s1

> <SMILES>
C1(O)=CC2O[C@@]3(OC4C=C(O)C5C(=O)C(O)=C(C6=CC=C(O)C=C6)OC=5C=4[C@@H]([C@@H]3O)C=2C(O)=C1)C1C=CC(O)=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178150

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21676348

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33152

> <CITATION>
18975262

$$$$