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amarogentin
A secoiridoid glycoside that consists of (4aS,5R,6R)-5-ethenyl-6-hydroxy-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-1-one having a 2-O-[(3,3',5-trihydroxybiphenyl-2-yl)carbonyl]-beta-D-glucopyranosyl group attached at position 6 via a glycosidic linkage.


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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206] > metabolite [CHEBI:25212] > secondary metabolite [CHEBI:26619] > amarogentin [CHEBI:2622]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 enzyme inhibitor [CHEBI:23924] (825) 
 topoisomerase inhibitor [CHEBI:70727] (29) 
 topoisomerase I inhibitor [CHEBI:50276] (11) 
 amarogentin [CHEBI:2622] (1)
 metabolite [CHEBI:25212] (2692) 
 secondary metabolite [CHEBI:26619] (2225) 
 amarogentin [CHEBI:2622] (1)
06. Name of Biological Source of Chemical 
06. Name of Biological Source of Chemical
 Plantae (1926) 
 Magnoliophyta (1872) 
 Magnoliopsida (1649) 
 Gentianales (112) 
 Gentianaceae (15) 
 Swertia (15) 
 Swertia chirata (7)
 Swertia japonica (7)
 Swertia mileensis (7)
07. Part of Biological Source of Chemical 
07. Part of Biological Source of Chemical
 unspecified structure [PO:0000004] (703)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 glycosyl compound [CHEBI:63161] (1006) 
 glycoside [CHEBI:24400] (633) 
 secoiridoid glycoside [CHEBI:50274] (1) 
 amarogentin [CHEBI:2622] (1)
 carbohydrate derivative [CHEBI:63299] (2582) 
 monosaccharide derivative [CHEBI:63367] (720) 
 amarogentin [CHEBI:2622] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 glycosyl compound [CHEBI:63161] (1006) 
 glycoside [CHEBI:24400] (633) 
 secoiridoid glycoside [CHEBI:50274] (1) 
 amarogentin [CHEBI:2622] (1)
 carbohydrate derivative [CHEBI:63299] (2582) 
 monosaccharide derivative [CHEBI:63367] (720) 
 amarogentin [CHEBI:2622] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 glycosyl compound [CHEBI:63161] (1006) 
 glycoside [CHEBI:24400] (633) 
 secoiridoid glycoside [CHEBI:50274] (1) 
 amarogentin [CHEBI:2622] (1)
 carbohydrate derivative [CHEBI:63299] (2582) 
 monosaccharide derivative [CHEBI:63367] (720) 
 amarogentin [CHEBI:2622] (1)
ChEBI Compound Accession Identifier  [CHEBI:2622]
ChEBI Compound Description  A secoiridoid glycoside that consists of (4aS,5R,6R)-5-ethenyl-6-hydroxy-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-1-one having a 2-O-[(3,3',5-trihydroxybiphenyl-2-yl)carbonyl]-beta-D-glucopyranosyl group attached at position 6 via a glycosidic linkage.
ChEBI Compound Identification Number  2622
ChEBI InChI Value  InChI=1S/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24+,25-,28+,29+/m1/s1
ChEBI InChIKey Value  DBOVHQOUSDWAPQ-WTONXPSSSA-N
ChEBI Compound Name  amarogentin
ChEBI SMILES Value  [H][C@@]12CCOC(=O)C1=CO[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)c1c(O)cc(O)cc1-c1cccc(O)c1)[C@@H]2C=C
ChEBI Substance ID  8146424
ChEBI URL  ChEBI:2622
ChemSpider ID  NS
Ontomatica Chemical Accession Key (OnChAKey)  DBOVHQOUSDWAPQ_WTONXPSSSA_N_000_000000
PubChem Compound ID  115149