About: methyl (4S,5Z,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

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About: methyl (4S,5Z,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate Goto Sponge NotDistinct Permalink

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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	methyl (4S,5Z,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate (en)
skos:prefLabel	methyl (4S,5Z,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate (en)
name	methyl (4S,5Z,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate (en)
isomeric SMILES	wds:Q105012098-7166DA03-6134-4816-B38B-CDE4577975A7
stereoisomer of	wds:Q105012098-3AC8B8B5-7350-4F43-9854-EEC007ADE570 wds:Q105012098-3DDEE963-1E1A-4CB4-964F-637D1AD375ED wds:Q105012098-6237EE83-0228-4BA6-8E47-9F5B947860DA wds:Q105012098-6C09837A-D2A4-4B2B-9847-6C1E6C23FFA6 wds:Q105012098-938C7BB6-136C-4354-9F2B-F8829074EC40 wds:Q105012098-CCA3A558-56DA-4EBE-A2AB-DDFC6FA56062 wds:Q105012098-FF20E276-FF39-4F44-8AA7-280B39B2C608
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)OC)[C@H]1CC(=O)OCCc1ccc(O)cc1
stereoisomer of	ligstroside methyl (4S,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate methyl (4S,5E,6R)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate methyl (4S,5E,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate methyl (4R,5E,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate methyl (4S,5E,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate Ligustroside
instance of	wds:Q105012098-2770CEF8-3B3D-495E-9A8C-826053BCB5FD
instance of	type of chemical entity
subclass of	wds:Q105012098-10743E16-07F6-4FDA-AF1F-CE97BB3BC2E5 wds:Q105012098-4287742D-467B-40D1-8EC1-8711589BD157 wds:Q105012098-789660CD-C389-4566-9A84-2E552454190A
subclass of	methyl (5Z)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate methyl 5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate methyl (5Z)-5-ethylidene-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate
found in taxon	wds:Q105012098-835718FA-1A51-4D90-B861-C03A553E4B18
found in taxon	Olea europaea
canonical SMILES	wds:Q105012098-235885F6-8E3C-4826-AA34-B64B981BD6BB
InChI	wds:Q105012098-142CACF4-1E10-40A6-846B-9142CFC1035D
InChIKey	wds:Q105012098-45ABA9EB-4B79-48A2-9372-4DBCCB760C30
chemical formula	wds:Q105012098-2E30CED6-DF7C-4AE7-84BD-C37F345E7100
PubChem CID	wds:Q105012098-B382BC5C-92E7-4ACD-96DC-F941F9F3934F
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID163189593
canonical SMILES	O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CC)C1CC(=O)OCCC3=CC=C(O)C=C3
InChI	InChI=1S/C25H32O12/c1-3-15-16(10-19(28)34-9-8-13-4-6-14(27)7-5-13)17(23(32)33-2)12-35-24(15)37-25-22(31)21(30)20(29)18(11-26)36-25/h3-7,12,16,18,20-22,24-27,29-31H,8-11H2,1-2H3/b15-3-/t16-,18+,20+,21-,22+,24-,25+/m0/s1
InChIKey	GMQXOLRKJQWPNB-NZMUGEOWSA-N
chemical formula	C₂₅H₃₂O₁₂
PubChem CID	163189593
mass	wds:Q105012098-05E994A3-0ABE-41F5-9D80-A0FA779992EE
mass	524.189376464 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105012098
is stereoisomer of of	ligstroside methyl (4S,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate methyl (4S,5E,6R)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate methyl (4S,5E,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate methyl (4R,5E,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate methyl (4S,5E,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate Ligustroside
is stereoisomer of of	wds:Q105012091-DB0E1F64-57E8-4A7D-9DD5-19AB94D8F533 wds:Q105012102-38657639-488F-411E-A66D-1B65AC259687 wds:Q105012092-00FA5475-3A20-430D-A589-F0C53E10FFC4 wds:Q104391252-03F1A5DC-DCB5-48FD-B97B-F4D5068EAA84 wds:Q27269447-8B6A67FC-6BAA-491F-86F9-67802554DFAD wds:Q76415581-11887CF8-4FEC-4CE5-9FD9-A67FF868BCEF wds:Q105012100-357EBE24-6A2C-4875-A5C0-81F565CD425E
is main subject of	Secoiridoids from Olea europaea
is main subject of	wds:Q61555389-BC45B033-A9DD-4157-8104-29E892B4DF82

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