About: [(3aR,4R,9aR,9bS)-9a-hydroxy-6-(hydroxymethyl)-9-methyl-3-methylidene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate

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About: [(3aR,4R,9aR,9bS)-9a-hydroxy-6-(hydroxymethyl)-9-methyl-3-methylidene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-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,4R,9aR,9bS)-9a-hydroxy-6-(hydroxymethyl)-9-methyl-3-methylidene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate (en)
skos:prefLabel	[(3aR,4R,9aR,9bS)-9a-hydroxy-6-(hydroxymethyl)-9-methyl-3-methylidene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate (en)
name	[(3aR,4R,9aR,9bS)-9a-hydroxy-6-(hydroxymethyl)-9-methyl-3-methylidene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate (en)
isomeric SMILES	wds:Q105035384-E0B35B3C-6C75-4F84-BC53-0690246FFE31
isomeric SMILES	C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)CC(CO)=C1C(=O)C=C(C)[C@@]12O
instance of	wds:Q105035384-72EC6306-22A2-4A9B-A406-839AAA7C5BDD
instance of	type of chemical entity
subclass of	wds:Q105035384-D963B998-5525-4175-8E92-E3DC5D7C5B14
subclass of	[9a-Hydroxy-6-(hydroxymethyl)-9-methyl-3-methylidene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-4-yl] 2-methylbut-2-enoate
found in taxon	wds:Q105035384-CDA90153-C900-4565-9AB2-6DFF1839CBD2
found in taxon	Eupatorium rotundifolium
canonical SMILES	wds:Q105035384-07611A11-189D-4E22-B8E3-5E7AF42D25EF
InChI	wds:Q105035384-3D9682B0-A44F-4031-A7FC-5620371F250E
InChIKey	wds:Q105035384-7B390AFC-0461-4598-9097-AD8BA3833C80
chemical formula	wds:Q105035384-E1B94884-E6BC-46CA-8152-4AEF1DBC8379
PubChem CID	wds:Q105035384-0DE03D56-0FB2-4F72-B9D8-41D9A1A3E9B6
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID162995674
canonical SMILES	O=C(OC1CC(=C2C(=O)C=C(C)C2(O)C3OC(=O)C(=C)C13)CO)C(=CC)C
InChI	InChI=1S/C20H22O7/c1-5-9(2)18(23)26-14-7-12(8-21)16-13(22)6-10(3)20(16,25)17-15(14)11(4)19(24)27-17/h5-6,14-15,17,21,25H,4,7-8H2,1-3H3/b9-5+/t14-,15-,17+,20-/m1/s1
InChIKey	HYMYBLVWMOWQIJ-ISHAFSLGSA-N
chemical formula	C₂₀H₂₂O₇
PubChem CID	162995674
mass	wds:Q105035384-C5913216-85B5-42FB-BA83-CF5DB7E3919A
mass	374.136553044 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105035384
is main subject of	Neue guajanolide aus Eupatorium rotundifolium
is main subject of	wds:Q105005999-FFE6E709-4AB1-4EA2-B744-6ED1C55CFA49

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