About: Neooleuropein

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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	composto chimico (it) химическое соединение (ru) chemical compound (en) composé chimique (fr) תרכובת (he) kemisk forbindelse (da) compositum chemicum (la) chemische Verbindung (de) քիմիական միացություն (hy) chemická sloučenina (cs) chemická zlúčenina (sk) chemische verbinding (nl) kemia kombinaĵo (eo) związek chemiczny (pl) chemical compound (en-ca) chemical compound (en-gb) chemiese verbinding (af) chemische Verbindung (de-ch) component quimic (oc) compost químic (ca) composto químico (gl) composto químico (pt) composto químico (pt-br) compuesto quimico (an) compuestu químicu (ast) compus chimic (ro) kemiallinen yhdiste (fi) kjemisk forbindelse (nb) kjemisk sambinding (nn) komponim kimik (sq) konposatu kimiko (eu) senyawa kimia (id) ķīmisks savienojums (lv) хімічна сполука (uk) مركب كيميائي (ar) রাসায়নিক যৌগ (bn) compuesto químico (es) payvastagii khimiyaviy (tg-latn) пайвастагии химиявӣ (tg-cyrl) chemesch Verbindung (lb)
rdfs:label	Neooleuropein (en)
skos:prefLabel	Neooleuropein (en)
name	Neooleuropein (en)
isomeric SMILES	wds:Q104399976-350CFB34-703B-48CC-9331-C438FCA31894
stereoisomer of	wds:Q104399976-71EB7C41-6909-4B59-B2CA-55FEED97BF6F
isomeric SMILES	C/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OCCc2ccc(O)c(O)c2)[C@H]1CC(=O)OCCc1ccc(O)c(O)c1
stereoisomer of	2-(3,4-dihydroxyphenyl)ethyl (4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
instance of	wds:Q104399976-116D871F-0528-4279-BD21-3E6BBCA6E7D7
instance of	type of chemical entity
subclass of	wds:Q104399976-E1D7AF53-5208-4373-B4D7-4D48D22EC184
subclass of	2-(3,4-dihydroxyphenyl)ethyl 4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
found in taxon	wds:Q104399976-2A3B07D0-81E6-414D-9A63-76E566BA0081 wds:Q104399976-90373B92-54F2-49F1-B582-945005AECED6 wds:Q104399976-E02B8E91-2EDB-437A-96D2-FCE7548B1960
found in taxon	Jasminum multiflorum Fraxinus chinensis Syringa vulgaris
UniChem compound ID	wds:Q104399976-B742AA55-B047-4A94-8F51-59B8D61CCE06
canonical SMILES	wds:Q104399976-CFC5A3FB-A560-4EDF-A21E-4D548BC04B99
InChI	wds:Q104399976-D685B06E-D7D2-460F-B2B0-2C36A9F752BC
InChIKey	wds:Q104399976-2088D124-8DBB-4A2D-B20F-FBAD2FECFD49
chemical formula	wds:Q104399976-84112485-0340-4FC1-BABD-45C1A342F998
PubChem CID	wds:Q104399976-5C780E67-AFDF-4288-BA48-52207F48EC23
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6442861
UniChem compound ID	43851743
canonical SMILES	O=C(OCCC1=CC=C(O)C(O)=C1)C2=COC(OC3OC(CO)C(O)C(O)C3O)C(=CC)C2CC(=O)OCCC4=CC=C(O)C(O)=C4
InChI	InChI=1S/C32H38O15/c1-2-18-19(13-26(38)43-9-7-16-3-5-21(34)23(36)11-16)20(30(42)44-10-8-17-4-6-22(35)24(37)12-17)15-45-31(18)47-32-29(41)28(40)27(39)25(14-33)46-32/h2-6,11-12,15,19,25,27-29,31-37,39-41H,7-10,13-14H2,1H3/b18-2+/t19-,25+,27+,28-,29+,31-,32-/m0/s1
InChIKey	JIMGXIXILGGGKF-CNXMPEIMSA-N
chemical formula	C₃₂H₃₈O₁₅
PubChem CID	6442861
mass	wds:Q104399976-0D215C65-1B9B-4803-8366-60F4B07FCB71
mass	662.221070516 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q104399976
is stereoisomer of of	2-(3,4-dihydroxyphenyl)ethyl (4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
is stereoisomer of of	wds:Q105129184-BA1246E1-8DC6-454D-8218-C214083BAF98
is main subject of	Structures of New Seoiridoid Glycosides from the Leaves of Syringa vulgaris LINN. Secoiridoid, coumarin and secoiridoid-coumarin glucosides from Fraxinus chinensis Jasmultiside, a New Secoiridoid Glucoside from Jasminum multiflorum
is main subject of	wds:Q104397192-E47D73E3-82A5-4859-9DA6-E0FB7FA9E203 wds:Q104978161-3112B581-14C9-4262-9F30-81E872FA2A41 wds:Q104388452-E3A97D4F-F4F5-451B-AABC-9A3DA0736559

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