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 18:45:56 UTC |
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Update Date | 2022-03-07 02:53:56 UTC |
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HMDB ID | HMDB0033990 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Sissotrin |
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Description | Sissotrin belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. Sissotrin has been detected, but not quantified in, chickpeas (Cicer arietinum). This could make sissotrin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Sissotrin. |
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Structure | COC1=CC=C(C=C1)C1=COC2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(O)=C2C1=O InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3 |
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Synonyms | Value | Source |
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Astroside | HMDB | BIOCHANIN a 7-O-b-D-glucopyranoside | HMDB | Biochanin a 7-O-beta-D-glucoside | HMDB | Biochanin a-7-O-beta-D-glucoside | HMDB | Biochanin a-7-O-glucoside | HMDB |
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Chemical Formula | C22H22O10 |
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Average Molecular Weight | 446.4041 |
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Monoisotopic Molecular Weight | 446.121296924 |
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IUPAC Name | 5-hydroxy-3-(4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one |
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Traditional Name | 5-hydroxy-3-(4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one |
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CAS Registry Number | 5928-26-7 |
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SMILES | COC1=CC=C(C=C1)C1=COC2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(O)=C2C1=O |
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InChI Identifier | InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3 |
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InChI Key | LFEUICHQZGNOHD-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Isoflavonoids |
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Sub Class | Isoflavonoid O-glycosides |
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Direct Parent | Isoflavonoid O-glycosides |
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Alternative Parents | |
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Substituents | - Isoflavonoid o-glycoside
- Isoflavonoid-7-o-glycoside
- 4p-o-methylisoflavone
- Isoflavone
- Hydroxyisoflavonoid
- Phenolic glycoside
- Hexose monosaccharide
- O-glycosyl compound
- Glycosyl compound
- Chromone
- 1-benzopyran
- Benzopyran
- Phenoxy compound
- Anisole
- Phenol ether
- Methoxybenzene
- Pyranone
- 1-hydroxy-2-unsubstituted benzenoid
- 1-hydroxy-4-unsubstituted benzenoid
- Alkyl aryl ether
- Pyran
- Monocyclic benzene moiety
- Oxane
- Monosaccharide
- Benzenoid
- Heteroaromatic compound
- Vinylogous acid
- Secondary alcohol
- Acetal
- Oxacycle
- Organoheterocyclic compound
- Ether
- Polyol
- Organic oxygen compound
- Alcohol
- Primary alcohol
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | - an isoflavone-7-O-β-D-glucoside (CPD-4563 )
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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 | Solid |
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Experimental Molecular Properties | |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Sissotrin,1TMS,isomer #1 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C=C1 | 4258.3 | Semi standard non polar | 33892256 | Sissotrin,1TMS,isomer #2 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C=C1 | 4236.1 | Semi standard non polar | 33892256 | Sissotrin,1TMS,isomer #3 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C=C1 | 4232.2 | Semi standard non polar | 33892256 | Sissotrin,1TMS,isomer #4 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C=C1 | 4249.2 | Semi standard non polar | 33892256 | Sissotrin,1TMS,isomer #5 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 4267.6 | Semi standard non polar | 33892256 | Sissotrin,2TMS,isomer #1 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C=C1 | 4066.6 | Semi standard non polar | 33892256 | Sissotrin,2TMS,isomer #10 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 4054.6 | Semi standard non polar | 33892256 | Sissotrin,2TMS,isomer #2 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C=C1 | 4064.8 | Semi standard non polar | 33892256 | Sissotrin,2TMS,isomer #3 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C=C1 | 4077.7 | Semi standard non polar | 33892256 | Sissotrin,2TMS,isomer #4 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 4092.2 | Semi standard non polar | 33892256 | Sissotrin,2TMS,isomer #5 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C=C1 | 4040.2 | Semi standard non polar | 33892256 | Sissotrin,2TMS,isomer #6 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C=C1 | 4046.1 | Semi standard non polar | 33892256 | Sissotrin,2TMS,isomer #7 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 4048.4 | Semi standard non polar | 33892256 | Sissotrin,2TMS,isomer #8 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C=C1 | 4054.4 | Semi standard non polar | 33892256 | Sissotrin,2TMS,isomer #9 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 4047.9 | Semi standard non polar | 33892256 | Sissotrin,3TMS,isomer #1 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C=C1 | 3959.9 | Semi standard non polar | 33892256 | Sissotrin,3TMS,isomer #10 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3918.0 | Semi standard non polar | 33892256 | Sissotrin,3TMS,isomer #2 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C=C1 | 3993.5 | Semi standard non polar | 33892256 | Sissotrin,3TMS,isomer #3 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3942.6 | Semi standard non polar | 33892256 | Sissotrin,3TMS,isomer #4 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C=C1 | 3959.5 | Semi standard non polar | 33892256 | Sissotrin,3TMS,isomer #5 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3924.2 | Semi standard non polar | 33892256 | Sissotrin,3TMS,isomer #6 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3940.3 | Semi standard non polar | 33892256 | Sissotrin,3TMS,isomer #7 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C=C1 | 3964.3 | Semi standard non polar | 33892256 | Sissotrin,3TMS,isomer #8 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3900.5 | Semi standard non polar | 33892256 | Sissotrin,3TMS,isomer #9 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3920.4 | Semi standard non polar | 33892256 | Sissotrin,4TMS,isomer #1 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C=C1 | 3943.0 | Semi standard non polar | 33892256 | Sissotrin,4TMS,isomer #2 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3849.4 | Semi standard non polar | 33892256 | Sissotrin,4TMS,isomer #3 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3889.8 | Semi standard non polar | 33892256 | Sissotrin,4TMS,isomer #4 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3855.7 | Semi standard non polar | 33892256 | Sissotrin,4TMS,isomer #5 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3856.7 | Semi standard non polar | 33892256 | Sissotrin,5TMS,isomer #1 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C=C1 | 3842.4 | Semi standard non polar | 33892256 | Sissotrin,1TBDMS,isomer #1 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=CC(O)=C3C2=O)C=C1 | 4526.5 | Semi standard non polar | 33892256 | Sissotrin,1TBDMS,isomer #2 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C=C1 | 4523.5 | Semi standard non polar | 33892256 | Sissotrin,1TBDMS,isomer #3 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C2=O)C=C1 | 4526.5 | Semi standard non polar | 33892256 | Sissotrin,1TBDMS,isomer #4 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C=C1 | 4535.3 | Semi standard non polar | 33892256 | Sissotrin,1TBDMS,isomer #5 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4520.6 | Semi standard non polar | 33892256 | Sissotrin,2TBDMS,isomer #1 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C=C1 | 4597.5 | Semi standard non polar | 33892256 | Sissotrin,2TBDMS,isomer #10 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4608.2 | Semi standard non polar | 33892256 | Sissotrin,2TBDMS,isomer #2 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C2=O)C=C1 | 4595.6 | Semi standard non polar | 33892256 | Sissotrin,2TBDMS,isomer #3 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C=C1 | 4606.4 | Semi standard non polar | 33892256 | Sissotrin,2TBDMS,isomer #4 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4611.2 | Semi standard non polar | 33892256 | Sissotrin,2TBDMS,isomer #5 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C2=O)C=C1 | 4582.2 | Semi standard non polar | 33892256 | Sissotrin,2TBDMS,isomer #6 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C=C1 | 4598.6 | Semi standard non polar | 33892256 | Sissotrin,2TBDMS,isomer #7 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4621.1 | Semi standard non polar | 33892256 | Sissotrin,2TBDMS,isomer #8 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C=C1 | 4609.0 | Semi standard non polar | 33892256 | Sissotrin,2TBDMS,isomer #9 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4607.9 | Semi standard non polar | 33892256 | Sissotrin,3TBDMS,isomer #1 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C2=O)C=C1 | 4676.5 | Semi standard non polar | 33892256 | Sissotrin,3TBDMS,isomer #10 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4691.5 | Semi standard non polar | 33892256 | Sissotrin,3TBDMS,isomer #2 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C=C1 | 4707.2 | Semi standard non polar | 33892256 | Sissotrin,3TBDMS,isomer #3 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4687.2 | Semi standard non polar | 33892256 | Sissotrin,3TBDMS,isomer #4 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C=C1 | 4680.5 | Semi standard non polar | 33892256 | Sissotrin,3TBDMS,isomer #5 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4686.2 | Semi standard non polar | 33892256 | Sissotrin,3TBDMS,isomer #6 | COC1=CC=C(C2=COC3=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4671.2 | Semi standard non polar | 33892256 | Sissotrin,3TBDMS,isomer #7 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C=C1 | 4686.8 | Semi standard non polar | 33892256 | Sissotrin,3TBDMS,isomer #8 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4670.2 | Semi standard non polar | 33892256 | Sissotrin,3TBDMS,isomer #9 | COC1=CC=C(C2=COC3=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C1 | 4681.7 | Semi standard non polar | 33892256 |
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Spectra |
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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 - Sissotrin GC-MS (Non-derivatized) - 70eV, Positive | splash10-05dr-9304500000-c8067e4a244e8912c60e | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Sissotrin GC-MS (3 TMS) - 70eV, Positive | splash10-0002-3284149000-322367cf04163cf070ef | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Sissotrin 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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Experimental LC-MS/MS | LC-MS/MS Spectrum - Sissotrin LC-ESI-QTOF , negative-QTOF | splash10-001i-0090000000-be48342f42bd05389069 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Sissotrin LC-ESI-QTOF , negative-QTOF | splash10-001i-0090000000-c58519e7d50fc1a2e8b7 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Sissotrin LC-ESI-QTOF , negative-QTOF | splash10-014i-0090000000-8bff1c76f275a85bc077 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Sissotrin LC-ESI-QTOF , positive-QTOF | splash10-000i-0090000000-5460225beb67664c34ad | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Sissotrin LC-ESI-QTOF , positive-QTOF | splash10-000i-0090000000-bd891ccf84be93e05ea0 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Sissotrin LC-ESI-QTOF , positive-QTOF | splash10-000i-0190000000-9c6c41f1ef3f1aa1326a | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Sissotrin 6V, Positive-QTOF | splash10-0159-0090000000-545c1265f580f522051c | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Sissotrin 6V, Positive-QTOF | splash10-014i-0390000000-22e8f3945c9529e07aae | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Sissotrin 6V, Positive-QTOF | splash10-001i-0090000000-b1e19c8f80d3eff8b9c8 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Sissotrin 6V, Positive-QTOF | splash10-014i-0290000000-6572ea1a9c6ea4a5594a | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Sissotrin 6V, Positive-QTOF | splash10-0159-0090000000-df121f50b26cbbfe2767 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Sissotrin 6V, Positive-QTOF | splash10-001i-0090000000-8e863ca079207271e577 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Sissotrin 6V, Positive-QTOF | splash10-001i-0090000000-3978f1f03bb553294eb8 | 2021-09-20 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sissotrin 10V, Positive-QTOF | splash10-000j-0190700000-f08aa7a0e23a8580dddd | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sissotrin 20V, Positive-QTOF | splash10-000i-0090000000-bb98343295ce289bf1e9 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sissotrin 40V, Positive-QTOF | splash10-014r-1290000000-4c7f39d1ef43c017ee61 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sissotrin 10V, Positive-QTOF | splash10-000j-0190700000-f08aa7a0e23a8580dddd | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sissotrin 20V, Positive-QTOF | splash10-000i-0090000000-bb98343295ce289bf1e9 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sissotrin 40V, Positive-QTOF | splash10-014r-1290000000-4c7f39d1ef43c017ee61 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sissotrin 10V, Negative-QTOF | splash10-000t-1150900000-0fc47932bc1c259465b1 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sissotrin 20V, Negative-QTOF | splash10-001i-1191200000-03f96e6d4ac25371ca79 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sissotrin 40V, Negative-QTOF | splash10-001i-2290000000-e62e9c910ca9235a3bdf | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sissotrin 10V, Negative-QTOF | splash10-000t-1150900000-0fc47932bc1c259465b1 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sissotrin 20V, Negative-QTOF | splash10-001i-1191200000-03f96e6d4ac25371ca79 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sissotrin 40V, Negative-QTOF | splash10-001i-2290000000-e62e9c910ca9235a3bdf | 2015-04-25 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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| Not Available |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB012224 |
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KNApSAcK ID | C00010112 |
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Chemspider ID | 4513980 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | 5358913 |
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PDB ID | Not Available |
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ChEBI ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | rw1698761 |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
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