LMPK12030004
  LIPID_MAPS_STRUCTURE_DATABASE

 42 47  0  0  0  0  0  0  0  0999 V2000
    6.2779    9.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2779    8.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0014    8.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7248    8.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7248    9.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0014   10.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4484    8.5718    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1719    8.9895    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1719    9.8249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4484   10.2426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8953   10.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8953    8.5718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544   10.2426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6189    9.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3423   10.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3423   11.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6189   11.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8953   11.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0658   11.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0658    9.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7224    7.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7224    6.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4460    6.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1695    6.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1695    7.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4460    7.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8929    6.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6165    6.5006    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6165    7.3360    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8929    7.7538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3399    7.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4460    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0634    7.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7869    7.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7869    8.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0634    9.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3399    8.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5104    9.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5104    7.3360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0014    7.9974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1556    7.5972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3399    6.0829    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
  8 12  1  1  0  0  0
  1 13  1  0  0  0  0
 11 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 11  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 21  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
 29 31  1  6  0  0  0
 23 32  1  0  0  0  0
 31 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 37  2  0  0  0  0
 37 31  1  0  0  0  0
 35 38  1  0  0  0  0
 34 39  1  0  0  0  0
  7 26  1  6  0  0  0
  3 40  1  0  0  0  0
 21 41  1  0  0  0  0
 28 42  1  6  0  0  0
M  END
> <LM_ID>
LMPK12030004

> <COMMON_NAME>
Procyanidin B4

> <SYSTEMATIC_NAME>


> <FORMULA>
C30H26O12

> <MASS>
578.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Proanthocyanidins [PK1203]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XFZJEEAOWLFHDH-VUGKQVTMSA-N

> <INCHI>
InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1

> <SMILES>
C1(O)=CC2O[C@H](C3C=CC(O)=C(O)C=3)[C@@H](O)[C@H](C3=C(O)C=C(O)C4C[C@@H](O)[C@@H](C5C=CC(O)=C(O)C=5)OC=43)C=2C(O)=C1

> <KEGG_ID>
C10238

> <HMDB_ID>
HMDB0013690

> <CHEBI_ID>
27589

> <ABBREVIATION>
-

> <CAYMAN_ID>
36398

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
147299

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$