Mrv0541 11261315582D          

 25 27  0  0  0  0            999 V2000
    9.3011   -9.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3011   -9.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0163  -10.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7253   -9.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7253   -9.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0163   -8.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4446  -10.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1600   -9.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1600   -9.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4446   -8.7535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4446  -11.2274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0163  -11.2274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8729  -10.4014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5883   -9.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5858   -8.7535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8728   -9.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8729   -8.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5883   -9.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3034   -8.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3034   -7.9277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5883   -7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8729   -7.9277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5883   -6.6905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8729   -6.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0187   -7.5167    0.0000 O   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
  3 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
> <ID>
CHEBI:70007

> <NAME>
pachypodol

> <DEFINITION>
A trimethoxyflavone that is quercetin in which the hydroxy groups at position 3, 7 and 3? are replaced by methoxy groups. It has been isolated from  Combretum quadrangulare and Euodia elleryana.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:7885

> <SYNONYM>
Quercetin 3,7,3'-trimethyl ether; 5,4'-dihydroxy-3,7,3'-trimethoxyflavone; 5,4'-dihydroxy-3,7,3'-quercetol trimethyl ether

> <IUPAC_NAME>
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-4H-chromen-4-one

> <FORMULA>
C18H16O7

> <MASS>
344.31540

> <MONOISOTOPIC_MASS>
344.08960

> <CHARGE>
0

> <SMILES>
COc1cc(O)c2c(c1)oc(-c1ccc(O)c(OC)c1)c(OC)c2=O

> <INCHI>
InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-11(19)13(6-9)23-2/h4-8,19-20H,1-3H3

> <INCHIKEY>
KQFUXLQBMQGNRT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
33708-72-4

> <REAXYS_REGISTRY_NUMBER>
344651

> <CHEMIDPLUS>
33708-72-4

> <KEGG_COMPOUND_ACCESSION>
C10117

> <KNAPSACK_ACCESSION>
C00004646

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12112754

> <WIKIPEDIA_ACCESSION>
Pachypodol

> <PUBMED_CITATION>
10374246; 10725128; 11141110; 11199132; 16478239; 18570232; 21265555; 21275386; 22624328; 4201538

$$$$