Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 17:29:32 UTC |
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Update Date | 2022-03-07 02:52:06 UTC |
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HMDB ID | HMDB0029301 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl |
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Description | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl, also known as 3,3'-bi-1H-indole-5,5',6,6'-tetrol, belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group. 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl. |
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Structure | OC1=CC2=C(C=C1O)C(=CN2)C1=CNC2=C1C=C(O)C(O)=C2 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 |
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Synonyms | Value | Source |
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3,3'-Bi-1H-indole-5,5',6,6'-tetrol | ChEBI | 3-(5,6-Dihydroxy-1H-indol-3-yl)-1H-indole-5,6-diol | ChEBI | 5,5',6,6'-Tetrahydroxy-3,3'-bi-1H-indole | ChEBI | [3,3'-Bi-1H-indole]-5,5',6,6'-tetrol | ChEBI | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl | MeSH |
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Chemical Formula | C16H12N2O4 |
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Average Molecular Weight | 296.2775 |
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Monoisotopic Molecular Weight | 296.079706882 |
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IUPAC Name | 3-(5,6-dihydroxy-1H-indol-3-yl)-1H-indole-5,6-diol |
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Traditional Name | 3-(5,6-dihydroxy-1H-indol-3-yl)-1H-indole-5,6-diol |
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CAS Registry Number | Not Available |
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SMILES | OC1=CC2=C(C=C1O)C(=CN2)C1=CNC2=C1C=C(O)C(O)=C2 |
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InChI Identifier | 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 |
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InChI Key | UHYVKNUCMCSKMR-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Indoles and derivatives |
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Sub Class | Hydroxyindoles |
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Direct Parent | Hydroxyindoles |
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Alternative Parents | |
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Substituents | - Hydroxyindole
- Indole
- 1-hydroxy-2-unsubstituted benzenoid
- Benzenoid
- Substituted pyrrole
- Heteroaromatic compound
- Pyrrole
- Azacycle
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedMetabolite | SMILES | Kovats RI Value | Column Type | Reference |
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5,5',6,6'-Tetrahydroxy-3,3'-biindolyl | OC1=CC2=C(C=C1O)C(=CN2)C1=CNC2=C1C=C(O)C(O)=C2 | 5345.4 | Standard polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl | OC1=CC2=C(C=C1O)C(=CN2)C1=CNC2=C1C=C(O)C(O)=C2 | 3302.4 | Standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl | OC1=CC2=C(C=C1O)C(=CN2)C1=CNC2=C1C=C(O)C(O)=C2 | 3782.8 | Semi standard non polar | 33892256 |
DerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,1TMS,isomer #1 | C[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=C[NH]C3=CC(O)=C(O)C=C13)=C[NH]2 | 3530.9 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,1TMS,isomer #2 | C[Si](C)(C)OC1=CC2=C(C=C1O)[NH]C=C2C1=C[NH]C2=CC(O)=C(O)C=C12 | 3546.9 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,1TMS,isomer #3 | C[Si](C)(C)N1C=C(C2=C[NH]C3=CC(O)=C(O)C=C23)C2=CC(O)=C(O)C=C21 | 3579.3 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,2TMS,isomer #1 | C[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=C[NH]C3=CC(O[Si](C)(C)C)=C(O)C=C13)=C[NH]2 | 3455.3 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,2TMS,isomer #2 | C[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=C[NH]C3=CC(O)=C(O[Si](C)(C)C)C=C13)=C[NH]2 | 3483.9 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,2TMS,isomer #3 | C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(C1=C[NH]C3=CC(O)=C(O)C=C13)=C[NH]2 | 3423.8 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,2TMS,isomer #4 | C[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=C[NH]C3=CC(O)=C(O)C=C13)=CN2[Si](C)(C)C | 3479.8 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,2TMS,isomer #5 | C[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=CN([Si](C)(C)C)C3=CC(O)=C(O)C=C13)=C[NH]2 | 3467.3 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,2TMS,isomer #6 | C[Si](C)(C)OC1=CC2=C(C=C1O)[NH]C=C2C1=C[NH]C2=CC(O)=C(O[Si](C)(C)C)C=C12 | 3508.3 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,2TMS,isomer #7 | C[Si](C)(C)OC1=CC2=C(C=C1O)[NH]C=C2C1=CN([Si](C)(C)C)C2=CC(O)=C(O)C=C12 | 3490.5 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,2TMS,isomer #8 | C[Si](C)(C)OC1=CC2=C(C=C1O)N([Si](C)(C)C)C=C2C1=C[NH]C2=CC(O)=C(O)C=C12 | 3504.4 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,2TMS,isomer #9 | C[Si](C)(C)N1C=C(C2=CN([Si](C)(C)C)C3=CC(O)=C(O)C=C23)C2=CC(O)=C(O)C=C21 | 3575.0 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,3TMS,isomer #1 | C[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=C[NH]C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C13)=C[NH]2 | 3388.3 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,3TMS,isomer #10 | C[Si](C)(C)OC1=CC2=C(C=C1O)N([Si](C)(C)C)C=C2C1=CN([Si](C)(C)C)C2=CC(O)=C(O)C=C12 | 3471.6 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,3TMS,isomer #2 | C[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=CN([Si](C)(C)C)C3=CC(O[Si](C)(C)C)=C(O)C=C13)=C[NH]2 | 3397.2 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,3TMS,isomer #3 | C[Si](C)(C)OC1=CC2=C(C=C1O)[NH]C=C2C1=C[NH]C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C12 | 3410.6 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,3TMS,isomer #4 | C[Si](C)(C)OC1=CC2=C(C=C1O)[NH]C=C2C1=CN([Si](C)(C)C)C2=CC(O[Si](C)(C)C)=C(O)C=C12 | 3417.4 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,3TMS,isomer #5 | C[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=CN([Si](C)(C)C)C3=CC(O)=C(O[Si](C)(C)C)C=C13)=C[NH]2 | 3419.1 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,3TMS,isomer #6 | C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)N([Si](C)(C)C)C=C2C1=C[NH]C2=CC(O)=C(O)C=C12 | 3378.9 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,3TMS,isomer #7 | C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(C1=CN([Si](C)(C)C)C3=CC(O)=C(O)C=C13)=C[NH]2 | 3360.5 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,3TMS,isomer #8 | C[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=CN([Si](C)(C)C)C3=CC(O)=C(O)C=C13)=CN2[Si](C)(C)C | 3447.1 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,3TMS,isomer #9 | C[Si](C)(C)OC1=CC2=C(C=C1O)[NH]C=C2C1=CN([Si](C)(C)C)C2=CC(O)=C(O[Si](C)(C)C)C=C12 | 3441.3 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,4TMS,isomer #1 | C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(C1=C[NH]C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C13)=C[NH]2 | 3407.4 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,4TMS,isomer #2 | C[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=C[NH]C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C13)=CN2[Si](C)(C)C | 3374.4 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,4TMS,isomer #3 | C[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=CN([Si](C)(C)C)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C13)=C[NH]2 | 3384.6 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,4TMS,isomer #4 | C[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=CN([Si](C)(C)C)C3=CC(O[Si](C)(C)C)=C(O)C=C13)=CN2[Si](C)(C)C | 3384.0 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,4TMS,isomer #5 | C[Si](C)(C)OC1=CC2=C(C=C1O)[NH]C=C2C1=CN([Si](C)(C)C)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C12 | 3400.7 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,4TMS,isomer #6 | C[Si](C)(C)OC1=CC2=C(C=C1O)N([Si](C)(C)C)C=C2C1=C[NH]C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C12 | 3390.6 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,4TMS,isomer #7 | C[Si](C)(C)OC1=CC2=C(C=C1O)N([Si](C)(C)C)C=C2C1=CN([Si](C)(C)C)C2=CC(O[Si](C)(C)C)=C(O)C=C12 | 3395.0 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,4TMS,isomer #8 | C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)N([Si](C)(C)C)C=C2C1=CN([Si](C)(C)C)C2=CC(O)=C(O)C=C12 | 3394.7 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,4TMS,isomer #9 | C[Si](C)(C)OC1=CC2=C(C=C1O)N([Si](C)(C)C)C=C2C1=CN([Si](C)(C)C)C2=CC(O)=C(O[Si](C)(C)C)C=C12 | 3409.4 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,5TMS,isomer #1 | C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(C1=CN([Si](C)(C)C)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C13)=C[NH]2 | 3393.5 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,5TMS,isomer #1 | C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)C(C1=CN([Si](C)(C)C)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C13)=C[NH]2 | 3485.0 | Standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,5TMS,isomer #2 | C[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=CN([Si](C)(C)C)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C13)=CN2[Si](C)(C)C | 3383.7 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,5TMS,isomer #2 | C[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=CN([Si](C)(C)C)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C13)=CN2[Si](C)(C)C | 3493.8 | Standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,5TMS,isomer #3 | C[Si](C)(C)OC1=CC2=C(C=C1O)N([Si](C)(C)C)C=C2C1=CN([Si](C)(C)C)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C12 | 3392.9 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,5TMS,isomer #3 | C[Si](C)(C)OC1=CC2=C(C=C1O)N([Si](C)(C)C)C=C2C1=CN([Si](C)(C)C)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C12 | 3492.1 | Standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,6TMS,isomer #1 | C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)N([Si](C)(C)C)C=C2C1=CN([Si](C)(C)C)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C12 | 3413.1 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,6TMS,isomer #1 | C[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C)N([Si](C)(C)C)C=C2C1=CN([Si](C)(C)C)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C12 | 3388.5 | Standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=C[NH]C3=CC(O)=C(O)C=C13)=C[NH]2 | 3787.0 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)[NH]C=C2C1=C[NH]C2=CC(O)=C(O)C=C12 | 3807.3 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N1C=C(C2=C[NH]C3=CC(O)=C(O)C=C23)C2=CC(O)=C(O)C=C21 | 3855.5 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=C[NH]C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C13)=C[NH]2 | 3958.0 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=C[NH]C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C13)=C[NH]2 | 3980.1 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(C1=C[NH]C3=CC(O)=C(O)C=C13)=C[NH]2 | 3944.4 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=C[NH]C3=CC(O)=C(O)C=C13)=CN2[Si](C)(C)C(C)(C)C | 4001.2 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=CN([Si](C)(C)C(C)(C)C)C3=CC(O)=C(O)C=C13)=C[NH]2 | 3980.3 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)[NH]C=C2C1=C[NH]C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C12 | 3999.2 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)[NH]C=C2C1=CN([Si](C)(C)C(C)(C)C)C2=CC(O)=C(O)C=C12 | 4003.7 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,2TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)N([Si](C)(C)C(C)(C)C)C=C2C1=C[NH]C2=CC(O)=C(O)C=C12 | 4025.1 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,2TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)N1C=C(C2=CN([Si](C)(C)C(C)(C)C)C3=CC(O)=C(O)C=C23)C2=CC(O)=C(O)C=C21 | 4058.3 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=C[NH]C3=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C13)=C[NH]2 | 4111.6 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,3TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)N([Si](C)(C)C(C)(C)C)C=C2C1=CN([Si](C)(C)C(C)(C)C)C2=CC(O)=C(O)C=C12 | 4179.1 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=CN([Si](C)(C)C(C)(C)C)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C13)=C[NH]2 | 4119.4 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)[NH]C=C2C1=C[NH]C2=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C12 | 4129.6 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)[NH]C=C2C1=CN([Si](C)(C)C(C)(C)C)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C12 | 4141.7 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=CN([Si](C)(C)C(C)(C)C)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C13)=C[NH]2 | 4147.3 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C=C2C1=C[NH]C2=CC(O)=C(O)C=C12 | 4143.0 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(C1=CN([Si](C)(C)C(C)(C)C)C3=CC(O)=C(O)C=C13)=C[NH]2 | 4116.8 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,3TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=CN([Si](C)(C)C(C)(C)C)C3=CC(O)=C(O)C=C13)=CN2[Si](C)(C)C(C)(C)C | 4152.5 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,3TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)[NH]C=C2C1=CN([Si](C)(C)C(C)(C)C)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C12 | 4169.8 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(C1=C[NH]C3=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C13)=C[NH]2 | 4256.7 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=C[NH]C3=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C13)=CN2[Si](C)(C)C(C)(C)C | 4265.3 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=CN([Si](C)(C)C(C)(C)C)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C13)=C[NH]2 | 4272.8 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=CN([Si](C)(C)C(C)(C)C)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C13)=CN2[Si](C)(C)C(C)(C)C | 4273.4 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,4TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)[NH]C=C2C1=CN([Si](C)(C)C(C)(C)C)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C12 | 4297.5 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,4TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)N([Si](C)(C)C(C)(C)C)C=C2C1=C[NH]C2=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C12 | 4287.9 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,4TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)N([Si](C)(C)C(C)(C)C)C=C2C1=CN([Si](C)(C)C(C)(C)C)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C12 | 4300.3 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,4TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C=C2C1=CN([Si](C)(C)C(C)(C)C)C2=CC(O)=C(O)C=C12 | 4293.3 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,4TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)N([Si](C)(C)C(C)(C)C)C=C2C1=CN([Si](C)(C)C(C)(C)C)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C12 | 4328.4 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(C1=CN([Si](C)(C)C(C)(C)C)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C13)=C[NH]2 | 4409.8 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)C(C1=CN([Si](C)(C)C(C)(C)C)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C13)=C[NH]2 | 4450.3 | Standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,5TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=CN([Si](C)(C)C(C)(C)C)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C13)=CN2[Si](C)(C)C(C)(C)C | 4409.3 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,5TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)C(C1=CN([Si](C)(C)C(C)(C)C)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C13)=CN2[Si](C)(C)C(C)(C)C | 4384.4 | Standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,5TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)N([Si](C)(C)C(C)(C)C)C=C2C1=CN([Si](C)(C)C(C)(C)C)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C12 | 4430.2 | Semi standard non polar | 33892256 | 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl,5TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1O)N([Si](C)(C)C(C)(C)C)C=C2C1=CN([Si](C)(C)C(C)(C)C)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C12 | 4377.3 | Standard non polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl GC-MS (Non-derivatized) - 70eV, Positive | splash10-014i-0190000000-28dd077b531e6d293541 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl GC-MS (4 TMS) - 70eV, Positive | splash10-02mi-3100390000-7b54b5ddc80f5ff0f930 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl 10V, Positive-QTOF | splash10-0002-0090000000-3803debbd6f6b8c0e500 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl 20V, Positive-QTOF | splash10-0002-0090000000-ae6aa89d90d731ce8ee1 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl 40V, Positive-QTOF | splash10-002s-0090000000-ca457a4e6ffb110ef0ab | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl 10V, Negative-QTOF | splash10-0002-0090000000-bafc82a3ace69ec748ae | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl 20V, Negative-QTOF | splash10-0002-0090000000-0a122daaea20e4bde35e | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl 40V, Negative-QTOF | splash10-0f7a-0290000000-e9f2bd055a7609d1c6ba | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl 10V, Negative-QTOF | splash10-0002-0090000000-8c0a37cb17704175d425 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl 20V, Negative-QTOF | splash10-0002-0090000000-e384699298c7669730b4 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl 40V, Negative-QTOF | splash10-000i-0090000000-944ef0358b0965086ae9 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl 10V, Positive-QTOF | splash10-0002-0090000000-5c316f709f7b20344764 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl 20V, Positive-QTOF | splash10-0002-0090000000-c95ed4e87807d04c71c6 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5,5',6,6'-Tetrahydroxy-3,3'-biindolyl 40V, Positive-QTOF | splash10-06tr-0190000000-5bf460ac69ed25869902 | 2021-09-25 | Wishart Lab | View Spectrum |
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