Marvin  05270912002D          

 21 23  0  0  1  0            999 V2000
    9.0766   -4.9914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903   -5.4051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0766   -4.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3628   -5.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903   -6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5076   -4.9914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3628   -3.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903   -3.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6457   -4.9914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5041   -6.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5076   -4.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6457   -4.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9318   -5.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2214   -6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5041   -7.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9318   -3.7534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9352   -6.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2214   -7.8809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9352   -7.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6489   -6.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6489   -7.8809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  6  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
> <ID>
CHEBI:27702

> <NAME>
(R)-norlaudanosoline

> <STAR>
3

> <SECONDARY_ID>
CHEBI:348; CHEBI:18693

> <SYNONYM>
(R)-Tetrahydropapaveroline; (R)-Norlaudanosoline

> <IUPAC_NAME>
(1R)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol

> <FORMULA>
C16H17NO4

> <MASS>
287.31050

> <MONOISOTOPIC_MASS>
287.11576

> <CHARGE>
0

> <SMILES>
Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1O

> <INCHI>
InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/t12-/m1/s1

> <INCHIKEY>
ABXZOXDTHTTZJW-GFCCVEGCSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4710747

> <KEGG_COMPOUND_ACCESSION>
C06351

$$$$