Marvin  11141209112D          

 26 29  0  0  0  0            999 V2000
    9.0379  -19.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7541  -20.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0391  -18.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7510  -18.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7503  -17.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0386  -17.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3299  -17.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3308  -18.4272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4691  -18.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4694  -19.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1813  -20.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8978  -19.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8925  -18.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1757  -18.4189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7371  -17.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6084  -18.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7565  -20.9021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1827  -20.8925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6022  -18.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3177  -18.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0309  -18.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0259  -17.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3044  -17.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5949  -17.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2952  -16.3441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7390  -17.1590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  2  0  0  0  0
 12 13  2  0  0  0  0
  5  6  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
  9  4  2  0  0  0  0
  7 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7 16  1  0  0  0  0
  3  1  2  0  0  0  0
  2 17  1  0  0  0  0
  7  8  1  0  0  0  0
 11 18  2  0  0  0  0
  8  3  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  2  0  0  0  0
  3  4  1  0  0  0  0
 20 21  1  0  0  0  0
  9 10  1  0  0  0  0
 21 22  2  0  0  0  0
  1  2  1  0  0  0  0
 22 23  1  0  0  0  0
 10 11  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
  4  5  1  0  0  0  0
 23 25  1  0  0  0  0
 11 12  1  0  0  0  0
 22 26  1  0  0  0  0
M  END
> <ID>
CHEBI:65440

> <NAME>
artochamin C

> <DEFINITION>
An extended flavonoid that is 4H,8H-pyrano[2,3-f]chromen-4-one substituted by a 3,4-dihydroxyphenyl group at position 2, hydroxy group at position 5 and geminal methyl groups at position 8. It is isolated from the roots of Artocarpus chama and exhibits cytotoxicity against a panel of human tumour cell lines like breast adenocarcinoma, ovarian carcinoma, ileocecal carcinoma and melanoma.

> <STAR>
3

> <SYNONYM>
5-hydroxy-8,8-dimethyl-2-(3,4-dihydroxyphenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one

> <IUPAC_NAME>
2-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-4H,8H-pyrano[2,3-f]chromen-4-one

> <FORMULA>
C20H16O6

> <MASS>
352.33740

> <MONOISOTOPIC_MASS>
352.09469

> <CHARGE>
0

> <SMILES>
CC1(C)Oc2cc(O)c3c(oc(cc3=O)-c3ccc(O)c(O)c3)c2C=C1

> <INCHI>
InChI=1S/C20H16O6/c1-20(2)6-5-11-17(26-20)9-15(24)18-14(23)8-16(25-19(11)18)10-3-4-12(21)13(22)7-10/h3-9,21-22,24H,1-2H3

> <INCHIKEY>
QNSVTPUDNHNRQZ-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
10031179

> <PUBMED_CITATION>
15165133

$$$$