LMPK12030018
  LIPID_MAPS_STRUCTURE_DATABASE

 40 46  0     0  0            999 V2000
    7.4174   12.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4174   11.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2627   11.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1082   11.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1082   12.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2627   13.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9536   11.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7989   11.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7989   12.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9536   13.0419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6443   13.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5720   13.0419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4896   12.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3350   13.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3350   14.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4896   14.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6443   14.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1803   14.5062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2627   10.1135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0104   11.7485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3114   10.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1568   10.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3114    9.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1568    8.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0021    9.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0021   10.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4661    8.7225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4661    7.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3114    7.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1568    7.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6206    7.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7752    7.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9298    7.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9298    6.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7752    5.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6206    6.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0845    5.7940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3114    6.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8475    8.7225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0021    7.2583    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
 30 40  2  0     0  0
M  END
> <LM_ID>
LMPK12030018

> <COMMON_NAME>
Ephedrannin B

> <SYSTEMATIC_NAME>


> <FORMULA>
C30H20O10

> <MASS>
540.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Proanthocyanidins [PK1203]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PILGQGCHRRYASY-PBYQXAPXSA-N

> <INCHI>
InChI=1S/C30H20O10/c31-15-5-1-13(2-6-15)28-27(37)26(36)25-20(35)11-22-24(29(25)38-28)18-12-30(40-22,14-3-7-16(32)8-4-14)39-21-10-17(33)9-19(34)23(18)21/h1-11,18,31-35,37H,12H2/t18-,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](C3)C=2C(O)=C1)C1C=CC(O)=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33152

> <CITATION>
18975262

$$$$