LMPK12080006
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0            999 V2000
    9.9104   -5.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9104   -6.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7517   -6.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5929   -6.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5929   -5.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7517   -4.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4343   -6.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2755   -6.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2755   -5.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4343   -4.6874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1165   -6.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1165   -7.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0160   -8.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9153   -7.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9153   -6.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0160   -6.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0160   -5.0733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8139   -8.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9865   -4.8730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4156   -5.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9865   -6.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4446   -5.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4344   -7.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5243   -7.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  8 11  1  1     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
 16 17  1  0     0  0
 14 18  1  0     0  0
  1 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21  2  1  0     0  0
 20 22  1  0     0  0
 21 23  1  0     0  0
 21 24  1  0     0  0
M  END
> <LM_ID>
LMPK12080006

> <COMMON_NAME>
Cyclomillinol

> <SYSTEMATIC_NAME>
(3R)-2'',3''-Dihydro-2'',3'',3''-trimethyl-2',4'-dihydroxyfurano[4'',5'':6,7]isoflavan

> <FORMULA>
C20H22O4

> <MASS>
326.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ANHPMZQXTAKLGG-YUZLPWPTSA-N

> <INCHI>
InChI=1S/C20H22O4/c1-11-20(2,3)16-7-12-6-13(10-23-18(12)9-19(16)24-11)15-5-4-14(21)8-17(15)22/h4-5,7-9,11,13,21-22H,6,10H2,1-3H3/t11?,13-/m0/s1

> <SMILES>
C12OC(C)C(C)(C)C1=CC1C[C@H](C3C(O)=CC(O)=CC=3)COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178215

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14237677

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53625

> <CITATION>
-

$$$$