LMPK12080021
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
    9.4258    9.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4258    8.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2670    7.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1082    8.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1082    9.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2670    9.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9494    7.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7906    8.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7906    9.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9494    9.5612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6320    7.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6320    6.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5315    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4309    6.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4309    7.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5315    8.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2670   10.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5847    9.5612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7906    6.0942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4258   11.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5847   10.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7433   11.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5847   11.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7433   11.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9019   12.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9019   13.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   13.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7433   13.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2722    6.0942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1382    6.5942    0.0000 C   0  0  0  0  0  0  0  0  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
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 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 11  2  0  0  0  0
  1  2  1  0  0  0  0
  6 17  1  0  0  0  0
 18  1  1  0  0  0  0
 12 19  1  0  0  0  0
 17 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 14 29  1  0  0  0  0
 29 30  1  0     0  0
M  END
> <LM_ID>
LMPK12080021

> <COMMON_NAME>
Heminitidulan

> <SYSTEMATIC_NAME>
2-[3,4-Dihydro-8-methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo[1,2-b:3,4-b' ]dipyran-3-yl]-5-methoxyphenol

> <FORMULA>
C26H30O4

> <MASS>
406.21

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RUYCHAPZLGACHW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C26H30O4/c1-17(2)6-5-12-26(3)13-11-22-24(30-26)10-7-18-14-19(16-29-25(18)22)21-9-8-20(28-4)15-23(21)27/h6-11,13,15,19,27H,5,12,14,16H2,1-4H3

> <SMILES>
C12OC(C)(CC/C=C(\C)/C)C=CC=1C1OCC(C3=CC=C(OC)C=C3O)CC=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
629585

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1265830

> <CITATION>
-

$$$$