LMPK12160028
  LIPID_MAPS_STRUCTURE_DATABASE

 29 33  0     0  0            999 V2000
    8.7143   10.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7143    9.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5555    8.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3966    9.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3966   10.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5555   10.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2377    8.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0789    9.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0789   10.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2377   10.6852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9200    8.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9200    7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8194    7.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7188    7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7188    8.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8194    9.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9200   10.6851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0353    6.1693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0681    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4904    7.0093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2377    7.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8732   10.6852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0319   10.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0319    9.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8732    8.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5464   11.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607   10.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5555    7.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6894    7.2713    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  2  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
  9 17  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  1  0  0  0  0
  7 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25  2  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
  3 28  1  0  0  0  0
 28 29  1  0     0  0
M  END
> <LM_ID>
LMPK12160028

> <COMMON_NAME>
Robustin

> <SYSTEMATIC_NAME>
3-(1,3-Benzodioxol-5-yl)-4-hydroxy-5-methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one

> <FORMULA>
C22H18O7

> <MASS>
394.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LCSCNPZJBMHOJH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H18O7/c1-22(2)7-6-12-14(29-22)9-16-18(20(12)25-3)19(23)17(21(24)28-16)11-4-5-13-15(8-11)27-10-26-13/h4-9,23H,10H2,1-3H3

> <SMILES>
C12OC(C)(C)C=CC1=C(OC)C1C(O)=C(C3=CC=C4OCOC4=C3)C(=O)OC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
54708253

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 100139

> <CITATION>
-

$$$$