LMPK12020084
  LIPID_MAPS_STRUCTURE_DATABASE

 33 37  0     0  0            999 V2000
    8.0395    8.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0395    7.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8986    7.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7578    7.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7578    8.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8986    9.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6171    7.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4762    7.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4762    8.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6171    9.3365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3351    9.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2107    8.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0863    9.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0863   10.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2107   10.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3351   10.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1806    9.3362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9617   10.8529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8986   10.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0316   10.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1647   10.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   10.8309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8986    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3351    7.3525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9617    8.8309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7648   10.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6340   10.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5032   10.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5032   11.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6340   12.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7648   11.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3712   12.3425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6340   13.3455    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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  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
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
 21 22  2  0  0  0  0
  3 23  1  0  0  0  0
  8 24  1  6  0  0  0
 13 25  1  0  0  0  0
 19 26  1  6  0  0  0
 26 27  2  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 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020084

> <COMMON_NAME>
Cinchonain Ib

> <SYSTEMATIC_NAME>
(2R)-2alpha,10beta-Bis (3,4-dihydroxyphenyl) -3alpha,5-dihydroxy-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one

> <FORMULA>
C24H20O9

> <MASS>
452.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LKCOZWLUAKSRQM-UMAWSMADSA-N

> <INCHI>
InChI=1S/C24H20O9/c25-14-3-1-10(5-17(14)28)12-8-21(31)32-20-9-16(27)13-7-19(30)23(33-24(13)22(12)20)11-2-4-15(26)18(29)6-11/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19-,23-/m1/s1

> <SMILES>
C12OC(=O)C[C@H](C3C=C(O)C(O)=CC=3)C=1C1O[C@H](C3C=CC(O)=C(O)C=3)[C@H](O)CC=1C(O)=C2

> <KEGG_ID>
C10217

> <HMDB_ID>
-

> <CHEBI_ID>
3702

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442675

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 43462

> <CITATION>
-

$$$$