About: [(3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate

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About: [(3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate 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	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	[(3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate (en)
skos:prefLabel	[(3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate (en)
name	[(3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate (en)
isomeric SMILES	wds:Q105143803-59E3C510-AE7D-4126-AD11-6E70E5F82452
stereoisomer of	wds:Q105143803-644023D6-E1FD-4684-A0BA-C0061B47D27E wds:Q105143803-9F747E2C-436F-48CC-90F9-779F09536FF9 wds:Q105143803-BEB044BF-DE27-42E9-8291-E55A7E1D3747 wds:Q105143803-EA19E0C6-86FA-4C9B-9099-24C738D0EDC0
isomeric SMILES	C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)/C(=C\C)CO)[C@@H]12
stereoisomer of	[(3aR,4S,6E,10E,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate [(3aS,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)but-2-enoate [(3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)but-2-enoate 5-O-trans-o-coumaroylquinic acid, methyl ester
instance of	wds:Q105143803-C23A4D58-1975-4101-98DA-58DE40D386CC
instance of	type of chemical entity
subclass of	wds:Q105143803-A4AAC29B-CA9B-4380-B697-162331F00AA0 wds:Q105143803-B7FA8120-112E-42E0-A832-27CF6E346237
subclass of	[(4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)but-2-enoate [10-(Hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-(hydroxymethyl)but-2-enoate
found in taxon	wds:Q105143803-A7D13757-BA50-4F2D-AE84-34A0004EE8F6
found in taxon	Centaurea aspera
canonical SMILES	wds:Q105143803-739C0BD0-66DC-43D9-98D8-D8A32CF22D78
InChI	wds:Q105143803-E0170D20-AC80-4BFD-84D9-E3FC450489E5
InChIKey	wds:Q105143803-ECC6BA27-BD9D-4AE8-8858-CDC5D8639D01
chemical formula	wds:Q105143803-10FB3381-EE8C-41E1-88D0-B10F0F8EA8AC
PubChem CID	wds:Q105143803-22266C7D-F264-4F14-9934-E774A2F1B58D
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID162951840
canonical SMILES	O=C(OC1CC(=CCCC(=CC2OC(=O)C(=C)C21)CO)C)C(=CC)CO
InChI	InChI=1S/C20H26O6/c1-4-15(11-22)20(24)26-16-8-12(2)6-5-7-14(10-21)9-17-18(16)13(3)19(23)25-17/h4,6,9,16-18,21-22H,3,5,7-8,10-11H2,1-2H3/b12-6+,14-9-,15-4-/t16-,17+,18+/m0/s1
InChIKey	KOGNLNRVSGSMIV-MMCOIQDOSA-N
chemical formula	C₂₀H₂₆O₆
PubChem CID	162951840
mass	wds:Q105143803-03039C28-3FB8-4442-808E-BF3F69EE930B
mass	362.172938552 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105143803
is stereoisomer of of	[(3aR,4S,6E,10E,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate [(3aS,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)but-2-enoate [(3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)but-2-enoate 5-O-trans-o-coumaroylquinic acid, methyl ester
is stereoisomer of of	wds:Q105143806-9EEEA61D-9B9D-4BF6-AE62-A7A5277FF480 wds:Q125033336-6C61C3BF-C72D-47E8-A293-00E891D46104 wds:Q105143807-EC712A87-7E6B-4326-982C-EC18587F9313 wds:Q105143804-D6EDEE2F-6B9A-4E1B-9DD3-2CBF4672A691
is main subject of	Sesquiterpenes from Centaurea aspera
is main subject of	wds:Q80384289-288180A2-C8C7-4084-AD1D-A5BD4F77DAF2

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