LMPK12140009
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0  0  0  0  0  0  0  0999 V2000
   11.9506    8.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8359    8.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9546    7.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8452    6.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7304    7.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7258    8.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6203    6.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5056    7.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5011    8.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6112    8.9095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3133    8.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2030    8.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0886    8.8809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0846    9.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1950   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3094    9.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6216    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0610    8.8944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8359    9.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6652   10.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3484   11.5294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3235   11.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0067   10.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2752   10.1323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3876   11.6698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3876   10.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   10.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5229   12.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7048   12.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6401   10.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8360   10.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9482   10.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9482    8.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8360    9.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  2  1  0  0  0  0
  5  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  6  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
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 19  2  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 23 24  1  6  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 22 28  1  0  0  0  0
 22 29  1  0  0  0  0
 27 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140009

> <COMMON_NAME>
(+)-Tephrorin B

> <SYSTEMATIC_NAME>


> <FORMULA>
C30H28O6

> <MASS>
484.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QBEVDWJGVNNOGT-NTWNTOQNSA-N

> <INCHI>
InChI=1S/C30H28O6/c1-30(2)29(36-26(33)16-13-19-9-5-3-6-10-19)22(18-34-30)27-23(31)15-14-21-24(32)17-25(35-28(21)27)20-11-7-4-8-12-20/h3-16,22,25,29,31H,17-18H2,1-2H3/b16-13+/t22-,25+,29+/m1/s1

> <SMILES>
C1(O)C=CC2C(=O)C[C@@H](C3C=CC=CC=3)OC=2C=1[C@@H]1[C@H](OC(/C=C/C2C=CC=CC=2)=O)C(C)(C)OC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
66200

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10624721

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 228354

> <CITATION>
10814365

$$$$