Mrv0541 10161408522D          
 
 25 27  0  0  0  0            999 V2000
   19.0193  -15.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0193  -15.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2815  -14.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3224  -16.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5845  -15.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0589  -16.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7968  -15.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8379  -17.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9286  -17.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5845  -15.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0589  -17.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5348  -16.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5348  -17.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2317  -17.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9286  -16.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4031  -17.7054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2318  -18.4023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1907  -15.9836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7222  -14.7090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3362  -16.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8333  -18.4754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6552  -17.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3666  -15.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7790  -15.1485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4773  -14.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4 10  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
  6 20  1  0  0  0  0
  8 21  1  0  0  0  0
 16 22  1  0  0  0  0
 20 23  1  0  0  0  0
  7 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <ID>
CHEBI:35047

> <NAME>
xanthomicrol

> <DEFINITION>
A trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7 and 8 and hydroxy groups at positions 5 and 4'.

> <STAR>
3

> <SYNONYM>
4',5-dihydroxy-6,7,8-trimethoxyflavone

> <IUPAC_NAME>
5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-4H-chromen-4-one

> <FORMULA>
C18H16O7

> <MASS>
344.31540

> <MONOISOTOPIC_MASS>
344.08960

> <CHARGE>
0

> <SMILES>
COc1c(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c(OC)c1OC

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

> <INCHIKEY>
SAMBWAJRKKEEOR-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
16545-23-6

> <REAXYS_REGISTRY_NUMBER>
344488

> <CHEMIDPLUS>
16545-23-6

> <KEGG_COMPOUND_ACCESSION>
C14476

> <KNAPSACK_ACCESSION>
C00003879

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12111447

> <PUBMED_CITATION>
15949825; 23768339; 24895220; 25138085

$$$$