About: 4-(3-(1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid

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About: 4-(3-(1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid Goto Sponge NotDistinct Permalink

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	4-(3-(1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid (en)
skos:prefLabel	4-(3-(1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid (en)
name	4-(3-(1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid (en)
isomeric SMILES	wds:Q105274341-C67A64C3-B270-4A71-BF64-F980AAA66BD3
stereoisomer of	wds:Q105274341-043DF62D-65F7-4200-8BED-5670831B12AB wds:Q105274341-C0BCA7B9-0D9F-40A2-AC3B-86FA11FA12A5 wds:Q105274341-F0878D50-529E-4793-B932-9616163FEC3E
isomeric SMILES	O=C(/C=C/c1ccc(O)c2c1[C@H](C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O
stereoisomer of	(2R,3R)-4-[(1E)-3-[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propen-1-yl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid 10-epi-Lithospermic acid (2R,3R)-4-[(E)-3-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid
instance of	wds:Q105274341-3BC06E63-0BBD-4E34-B21E-A17168C6E523
instance of	type of chemical entity
subclass of	wds:Q105274341-114BCD49-FE9B-4637-B6DC-E33572F0850E
subclass of	(+)-Lithospermic acid
found in taxon	wds:Q105274341-0BD09E2C-819E-4BD6-9C22-78FDDF8C6368 wds:Q105274341-2AFC4CD4-8C4A-4994-BDEC-79D9018C221C wds:Q105274341-2D26E3C1-98B0-4152-BE04-75D28994F58E wds:Q105274341-3072F1B5-C219-4517-A74F-F029431E6D01 wds:Q105274341-8451F968-9FB7-4630-A80A-A3B92DE16428 wds:Q105274341-B43F99A5-17AC-4489-9559-66BAF92381D2 wds:Q105274341-F27F8B4B-6345-47DA-B089-33E9C3CC95F3
found in taxon	Salvia chinensis Lithospermum erythrorhizon Salvia miltiorrhiza Salvia cavaleriei Origanum vulgare Lithospermum ruderale Heliotropium sarmentosum
UniChem compound ID	wds:Q105274341-40B2A403-F43C-46F4-8FFC-D696D61B846C
Probes And Drugs ID	wds:Q105274341-1C62189B-DFA6-4E2E-A147-D6C6EA2489EA
CAS Registry Number	wds:Q105274341-732F2566-2018-45B7-A003-69BD810C2D7C
canonical SMILES	wds:Q105274341-E8F4CBBA-7875-4FB9-8E89-30A9C2EDEE04
InChI	wds:Q105274341-69C97E06-5772-4374-A47F-A51C31D82B88
InChIKey	wds:Q105274341-F943829F-0B28-44CF-9365-FDBD0B6B21AC
chemical formula	wds:Q105274341-6465B5A9-CD7C-44AC-A9BB-D36FEB73A94D
PubChem CID	wds:Q105274341-EC10D318-3A8E-4EB5-9B61-A6C890BEAC7C
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6441498
UniChem compound ID	590122
Probes And Drugs ID	PD087333
CAS Registry Number	28831-65-4
canonical SMILES	O=C(OC(C(=O)O)CC1=CC=C(O)C(O)=C1)C=CC2=CC=C(O)C=3OC(C4=CC=C(O)C(O)=C4)C(C(=O)O)C23
InChI	InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/b8-4+/t20-,23+,24-/m1/s1
InChIKey	UJZQBMQZMKFSRV-RGKBJLTCSA-N
chemical formula	C₂₇H₂₂O₁₂
PubChem CID	6441498
mass	wds:Q105274341-135A136F-40EE-40D9-B013-6AA30C1595A0
mass	538.111126144 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105274341
is stereoisomer of of	(2R,3R)-4-[(1E)-3-[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propen-1-yl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid 10-epi-Lithospermic acid (2R,3R)-4-[(E)-3-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid
is stereoisomer of of	wds:Q104393190-2A70B53D-F157-420E-9929-6580463834BE wds:Q105274339-67F6C3A2-1ABE-49BD-B98A-6D20C55A1846 wds:Q105274335-CF5106BB-947E-4459-AD63-2116BE2C7517
is main subject of	Two phenolic acids from Lithospermum erythrorhizon cell suspension cultures Simultaneous analysis of shikimate-derived secondary metabolites in Lithospermum erythrorhizon cell suspension cultures by high-performance liquid chromatography Isosalvianolic acid C, a depside possessing a dibenzooxepin skeleton Potency fingerprint of herbal products Danshen injection for their quality evaluation. Interaction of salvianolic acids and notoginsengnosides in inhibition of ADP-induced platelet aggregation Salvianolic Acid I: A New Depside from Salvia cavaleriei Development of the fingerprints for the quality of the roots of Salvia miltiorrhiza and its related preparations by HPLC-DAD and LC-MS(n) Benzolignanoid and Polyphenols fromOriganum Vulgare Anti-lipid-peroxidative principles from Tournefortia sarmentosa Isolation of two highly potent and non-toxic inhibitors of human immunodeficiency virus type 1 (HIV-1) integrase from Salvia miltiorrhiza Lithospermic acid derivatives from Lithospermum erythrorhizon increased expression of serine palmitoyltransferase in human HaCaT cells Caffeic acid oligomers in Lithospermum erythrorhizon cell suspension cultures Rapid separation and identification of phenolic and diterpenoid constituents from Radix Salvia miltiorrhizae by high-performance liquid chromatography diode-array detection, electrospray ionization time-of-flight mass spectrometry and electrospray i Effect of purified lithospermic acid and its oxidation product on luteinizing hormone release in vitro.
is main subject of	wds:Q39883825-C6A8A6E1-1922-4CD3-AEEE-1B1AE18E4FC7 wds:Q80353229-A216DE83-FCFA-41BF-9509-458659D14A2E wds:Q44004292-58DAE616-D777-4DEA-8426-0BBFB22F5565 wds:Q48458192-1DD17016-8107-4F55-9967-4D0B0AC6FF3E wds:Q80234613-5759E6A8-C066-4ED2-930A-A1C0047B79D2 wds:Q104385851-7A50CB99-494B-4E30-A58D-148D5B4B188B wds:Q45989023-FCA2E54A-DDAB-4B54-830A-617DACC13BAE wds:Q73707284-9DB166B2-40FB-4036-89BB-01C9E271F254 wds:Q28205996-4D9459B8-6146-4CDD-BD8A-67AFF5620EBF wds:Q46611535-00E7D650-00FC-4A63-9CE0-37A6E41C4047 wds:Q73622706-767D13C7-2043-485E-846B-F5236178A8EB wds:Q104386659-3AA66BB4-D395-4748-B704-166BE7B8D821 wds:Q104986205-078B556B-A307-4151-A70F-A390FCE41042 wds:Q79604539-AF7046AD-3F6A-4D81-A386-EC98D91A3759

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