LMPK12111127
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0            999 V2000
   10.9507   -6.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9507   -7.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8049   -7.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6587   -7.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6587   -6.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8049   -5.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5129   -7.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3672   -7.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3672   -6.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5129   -5.7632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5129   -8.6324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2209   -5.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0913   -6.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9617   -5.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9617   -4.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0913   -4.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2209   -4.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8049   -8.6323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9874   -5.7426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6953   -4.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2281   -7.6598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5496   -4.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2281   -8.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8976   -7.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9035   -7.2018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0618   -5.3909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6254   -4.7425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2136   -3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0507   -5.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4768   -6.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4774   -6.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0566   -5.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6306   -4.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2098   -3.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7080   -2.8844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7959   -4.7526    0.0000 C   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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
 18  3  1  0  0  0  0
 19  1  1  0  0  0  0
  2 21  1  0  0  0  0
 15 20  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
 34 35  2  0     0  0
 29 19  1  1     0  0
 28 36  1  0     0  0
M  END
> <LM_ID>
LMPK12111127

> <COMMON_NAME>
Comanthoside A

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-6,4'-dimethoxyflavone 7-(6"-methylglucuronide)

> <FORMULA>
C24H24O12

> <MASS>
504.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Pectolinarigenin 7-(6''-methylglucuronide)

> <INCHI_KEY>
BWUMQHHQRFRBKZ-MJRVOHGCSA-N

> <INCHI>
InChI=1S/C24H24O12/c1-31-11-6-4-10(5-7-11)13-8-12(25)16-14(34-13)9-15(21(32-2)17(16)26)35-24-20(29)18(27)19(28)22(36-24)23(30)33-3/h4-9,18-20,22,24,26-29H,1-3H3/t18-,19-,20+,22-,24+/m0/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)OC)O2)=CC2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
146075491

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 694320

> <CITATION>
-

$$$$