ChEBI
  Marvin  09080510312D          

 28 33  0  0  0  0            999 V2000
    7.2903   -5.1038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5656   -3.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3011   -3.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5605   -4.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9249   -4.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9300   -3.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8357   -3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3064   -2.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8249   -5.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6656   -3.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9403   -2.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1001   -3.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6708   -2.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0950   -4.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3594   -5.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3543   -5.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0847   -6.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8198   -5.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8203   -6.4465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0683   -7.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9027   -7.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4805   -2.3886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9313   -3.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4725   -3.6520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3952   -3.4179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6014   -2.1432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8662   -2.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3106   -5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
 28  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  7  2  1  0  0  0  0
  6  3  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
  6  5  1  0  0  0  0
 10  6  1  0  0  0  0
 12  7  2  0  0  0  0
 11  8  2  0  0  0  0
 26  8  1  0  0  0  0
 14  9  1  0  0  0  0
 18  9  2  0  0  0  0
 13 10  2  0  0  0  0
 24 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 25 12  1  0  0  0  0
 22 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 19 16  1  0  0  0  0
 18 17  1  0  0  0  0
 21 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
> <ID>
CHEBI:15716

> <NAME>
12-hydroxydihydrochelirubine

> <DEFINITION>
A benzophenanthridine alkaloid comprising dihydrochelirubine carrying a hydroxy substituent at the 12-position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11317; CHEBI:741; CHEBI:19139

> <SYNONYM>
12-hydroxydihydrochelirubine; 12-Hydroxydihydrochelirubine; 12-Hydroxychelirubine

> <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]phenanthridin-7-ol

> <FORMULA>
C21H17NO6

> <MASS>
379.36282

> <MONOISOTOPIC_MASS>
379.10559

> <CHARGE>
0

> <SMILES>
COc1cc2OCOc2c2CN(C)c3c(cc(O)c4cc5OCOc5cc34)-c12

> <INCHI>
InChI=1S/C21H17NO6/c1-22-7-13-19(17(24-2)6-18-21(13)28-9-27-18)12-3-14(23)10-4-15-16(26-8-25-15)5-11(10)20(12)22/h3-6,23H,7-9H2,1-2H3

> <INCHIKEY>
LEHAJESKGINQOW-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
131984-77-5

> <KEGG_COMPOUND_ACCESSION>
C05193

> <KNAPSACK_ACCESSION>
C00027673

$$$$