Ketcher 07292116202D 1   1.00000     0.00000     0

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  2 20  1  0     0  0
  3 21  1  0     0  0
  4 22  1  0     0  0
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  7  8  1  0     0  0
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  9 15  2  0     0  0
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 20 22  2  0     0  0
M  END
> <ID>
CHEBI:174128

> <NAME>
5,5',6,6'-tetrahydroxy-3,3'-biindolyl

> <DEFINITION>
A hydroxyindole that is 1H-indole-5,6-diol substituted by a 5,6-dihydroxy-1H-indol-3-yl group at position 3.

> <STAR>
3

> <SYNONYM>
[3,3'-bi-1H-indole]-5,5',6,6'-tetrol; 5,5',6,6'-tetrahydroxy-3,3'-bi-1H-indole; 3-(5,6-dihydroxy-1H-indol-3-yl)-1H-indole-5,6-diol; 3,3'-bi-1H-indole-5,5',6,6'-tetrol

> <IUPAC_NAME>
1H,1'H-[3,3'-biindole]-5,5',6,6'-tetrol

> <FORMULA>
C16H12N2O4

> <MASS>
296.282

> <MONOISOTOPIC_MASS>
296.07971

> <CHARGE>
0

> <SMILES>
OC1=C(O)C=C2C(NC=C2C2=CNC3=CC(O)=C(O)C=C23)=C1

> <INCHI>
InChI=1S/C16H12N2O4/c19-13-1-7-9(5-17-11(7)3-15(13)21)10-6-18-12-4-16(22)14(20)2-8(10)12/h1-6,17-22H

> <INCHIKEY>
UHYVKNUCMCSKMR-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
390401-91-9

> <KNAPSACK_ACCESSION>
C00054813

> <PUBMED_CITATION>
11724374

$$$$