ChEBI
  Marvin  09120512082D          

 27 32  0  0  0  0            999 V2000
    2.9556   -8.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3845   -8.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3845   -9.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0990   -9.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8135   -8.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0990   -8.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8135   -6.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0990   -7.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5279   -7.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5279   -8.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2424   -6.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2424   -8.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9569   -7.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9569   -8.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2264   -7.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9955   -9.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7100   -9.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7180  -10.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5385  -10.6874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3824  -10.0201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7415   -7.1505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7415   -8.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8135   -9.4680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5279   -9.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6701   -8.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6701   -7.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3845   -6.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25  1  2  0  0  0  0
 25  2  1  0  0  0  0
  1 16  1  0  0  0  0
 17  3  1  0  0  0  0
  6  2  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4 23  1  0  0  0  0
 23  5  1  0  0  0  0
  5 10  1  0  0  0  0
  6  5  2  0  0  0  0
  8  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 11  9  2  0  0  0  0
 10  9  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 21 13  1  0  0  0  0
 14 13  2  0  0  0  0
 14 22  1  0  0  0  0
 21 15  1  0  0  0  0
 22 15  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 18 19  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <ID>
CHEBI:17789

> <NAME>
dihydrochelirubine

> <DEFINITION>
A benzophenanthridine alkaloid that is dihydrosanguinarine bearing a methoxy substituent at position 10.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:4557; CHEBI:14145; CHEBI:23734

> <SYNONYM>
dihydrochelirubine; Dihydrochelirubine; 13,14-Dihydro-5-methoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine

> <IUPAC_NAME>
5-methoxy-13-methyl-13,14-dihydro-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine

> <FORMULA>
C21H17NO5

> <MASS>
363.36342

> <MONOISOTOPIC_MASS>
363.11067

> <CHARGE>
0

> <SMILES>
COc1cc2OCOc2c2CN(C)c3c(ccc4cc5OCOc5cc34)-c12

> <INCHI>
InChI=1S/C21H17NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-7H,8-10H2,1-2H3

> <INCHIKEY>
JPXUJRDPZQUCNV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
28342-26-9

> <REAXYS_REGISTRY_NUMBER>
630924

> <KEGG_COMPOUND_ACCESSION>
C05194

> <KNAPSACK_ACCESSION>
C00024643

> <AGRICOLA_CITATION>
IND43865777

> <PUBMED_CITATION>
17077972; 20686258; 2213031

$$$$