About: Rabdosiin

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An Entity of Type : wikibase:Item, within Data Space : wikidata.demo.openlinksw.com associated with source document(s)

chemical compound

Attributes	Values
rdf:type	Item
description	химическое соединение (ru) chemical compound (en) composé chimique (fr) compositum chemicum (la) chemische Verbindung (de) chemische verbinding (nl) compuestu químicu (ast) хімічна сполука (uk) রাসায়নিক যৌগ (bn)
rdfs:label	Rabdosiin (en)
skos:prefLabel	Rabdosiin (en)
name	Rabdosiin (en)
isomeric SMILES	wds:Q83018945-81589FE1-1809-4295-988A-39CD07EC8FA2
stereoisomer of	wds:Q83018945-08CB98EA-3277-4FB7-8041-211F2B608E59 wds:Q83018945-1FBCAF67-C59B-4FE9-BA51-4FCCE6056128
isomeric SMILES	C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)[C@H]2[C@@H](C3=CC(=C(C=C3C=C2C(=O)O[C@H](CC4=CC(=C(C=C4)O)O)C(=O)O)O)O)C5=CC(=C(C=C5)O)O)O)O
stereoisomer of	(+)-Rabdosiin (2R)-3-(3,4-dihydroxyphenyl)-2-[(1S,2R)-1-(3,4-dihydroxyphenyl)-3-[(1R)-1-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-2-oxo-ethoxy]carbonyl-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyl]oxy-propanoic acid
instance of	wds:Q83018945-29C50DBC-D8BC-4676-BC33-C1C885A88377
instance of	type of chemical entity
subclass of	wds:Q83018945-3823680D-B43E-4CC4-BA7C-A9C2F832DD9D wds:Q83018945-4E90773C-299A-4F47-BF63-4FAE94638A98
subclass of	(2R)-2-[(4R)-3-{[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydronaphthalene-2-carbonyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid 2-(3-{[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydronaphthalene-2-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid
found in taxon	wds:Q83018945-2A26CBA8-611B-4175-922D-A52544CE3601 wds:Q83018945-8AB6A290-D49F-4CFA-ABAE-8110A01AB3EA wds:Q83018945-A0B5E3F5-784C-4CC6-A614-BD9B46C264EC wds:Q83018945-E347EC6C-6715-4D47-965B-96FFD3A9B015
found in taxon	Salvia yunnanensis Isodon japonicus Arnebia euchroma Eritrichium sericeum
UniChem compound ID	wds:Q83018945-3262B5B7-9052-4D70-9C07-6CDAEE2643CF
CAS Registry Number	wds:Q83018945-1010CB9C-07D6-4168-872B-E2516BAB513E
canonical SMILES	wds:Q83018945-4D5196A5-5B86-46F0-BBD0-C587F486CF76
InChI	wds:Q83018945-B8D00666-BB42-4AB3-B6B4-C989FCAF1F9D
InChIKey	wds:Q83018945-00F7C2D4-678F-4C84-8EC2-3A6DAE4E9577
chemical formula	wds:Q83018945-2404D6C1-4515-4498-838C-614EB9296738
DSSTox substance ID	wds:Q83018945-B50FD27F-F98A-4647-B687-DC476054C998
PubChem CID	wds:Q83018945-DCA80F0B-DB5E-425E-92E0-9066A97F62D9
DSSTOX compound identifier	wds:Q83018945-D3B71CF8-E3D3-4891-BF20-6276B669BA53
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID471121
UniChem compound ID	256946
CAS Registry Number	119152-54-4
canonical SMILES	O=C(O)C(OC(=O)C1=CC=2C=C(O)C(O)=CC2C(C3=CC=C(O)C(O)=C3)C1C(=O)OC(C(=O)O)CC4=CC=C(O)C(O)=C4)CC5=CC=C(O)C(O)=C5
InChI	InChI=1S/C36H30O16/c37-21-4-1-15(7-24(21)40)9-29(33(45)46)51-35(49)20-11-18-13-27(43)28(44)14-19(18)31(17-3-6-23(39)26(42)12-17)32(20)36(50)52-30(34(47)48)10-16-2-5-22(38)25(41)8-16/h1-8,11-14,29-32,37-44H,9-10H2,(H,45,46)(H,47,48)/t29-,30-,31-,32-/m1/s1
InChIKey	VKWZFIDWHLCPHJ-SEVDZJIVSA-N
chemical formula	C₃₆H₃₀O₁₆
DSSTox substance ID	DTXSID90152325
PubChem CID	471121
DSSTOX compound identifier	DTXCID3074816
mass	wds:Q83018945-41B93A8D-79AD-4F25-8ABD-362E44828C45
mass	718.15338488 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q83018945
is stereoisomer of of	(+)-Rabdosiin (2R)-3-(3,4-dihydroxyphenyl)-2-[(1S,2R)-1-(3,4-dihydroxyphenyl)-3-[(1R)-1-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-2-oxo-ethoxy]carbonyl-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyl]oxy-propanoic acid
is stereoisomer of of	wds:Q105288189-6C7B46DC-A2D0-4EE4-BDA4-1B574B0549E2 wds:Q105288188-395159F0-F021-43C9-9345-CB915C477E94
is main subject of	Polyphenolics of Salvia--a review Four New Caffeic Acid Metabolites, Yunnaneic Acids E-H, from Salvia yunnanensis. Novel lignan derivatives as selective inhibitors of DNA topoisomerase II Caffeic acid metabolites from Eritrichium sericeum cell cultures Rabdosiin, a new rosmarinic acid dimer with a lignan skeleton, from Rabdosia japonica. Two caffeic acid tetramers having enantiomeric phenyldihydronaphthalene moieties from Macrotomia euchroma A tetrameric derivative of caffeic acid from Rabdosia japonica
is main subject of	wds:Q34505052-A36D83B5-3323-4BCD-9705-29A62990E8F1 wds:Q46523881-07143007-79E5-4233-9441-58CEDE76EA15 wds:Q105288181-5931D2E8-3D9D-44FB-807B-E0DDCF2546E6 wds:Q105288184-3C1EDFB4-6568-44B7-B956-029320C29E0B wds:Q104965154-B1141767-5A32-420B-9864-F72F9C0DA0A8 wds:Q105288185-94708838-F2CA-44AA-BF94-8E687C002C75 wds:Q104396889-834599B6-8B4A-4426-B857-074065395A44

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