About: [(1S)-1-[(2R,4S,5R,7R,8R)-4,5,7-trihydroxy-8-[(Z)-pent-2-en-4-ynyl]oxocan-2-yl]propyl] acetate

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About: [(1S)-1-[(2R,4S,5R,7R,8R)-4,5,7-trihydroxy-8-[(Z)-pent-2-en-4-ynyl]oxocan-2-yl]propyl] acetate 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	[(1S)-1-[(2R,4S,5R,7R,8R)-4,5,7-trihydroxy-8-[(Z)-pent-2-en-4-ynyl]oxocan-2-yl]propyl] acetate (en)
skos:prefLabel	[(1S)-1-[(2R,4S,5R,7R,8R)-4,5,7-trihydroxy-8-[(Z)-pent-2-en-4-ynyl]oxocan-2-yl]propyl] acetate (en)
name	[(1S)-1-[(2R,4S,5R,7R,8R)-4,5,7-trihydroxy-8-[(Z)-pent-2-en-4-ynyl]oxocan-2-yl]propyl] acetate (en)
isomeric SMILES	wds:Q105273089-6C8D9C76-5113-4E44-8A4A-F7E895896E1A
isomeric SMILES	C#C/C=C\C[C@H]1O[C@@H]([C@H](CC)OC(C)=O)C[C@H](O)[C@H](O)C[C@H]1O
instance of	wds:Q105273089-D62D536F-BAF3-45BB-B7B1-4C9E31A536A9
instance of	type of chemical entity
subclass of	wds:Q105273089-006F1301-999C-44AA-95ED-36AC4BB98187
subclass of	1-(4,5,7-Trihydroxy-8-pent-2-en-4-ynyloxocan-2-yl)propyl acetate
found in taxon	wds:Q105273089-8989555C-6AFF-4BE6-8884-3C84D7181601
found in taxon	Dolabella auricularia
canonical SMILES	wds:Q105273089-7E88FFF5-DD7E-4D79-BF6F-87382BC31393
InChI	wds:Q105273089-4D5646E1-5679-42B3-995A-4285A3549541
InChIKey	wds:Q105273089-4E7E789B-5115-463B-8EAE-EAB51F9783A2
chemical formula	wds:Q105273089-0D9F63B2-D5F2-4F80-9607-05D7EB3F200B
PubChem CID	wds:Q105273089-2DBAECF2-E71D-4669-BE71-41EEBBD6B148
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID162929575
canonical SMILES	O=C(OC(CC)C1OC(CC=CC#C)C(O)CC(O)C(O)C1)C
InChI	InChI=1S/C17H26O6/c1-4-6-7-8-16-14(21)9-12(19)13(20)10-17(23-16)15(5-2)22-11(3)18/h1,6-7,12-17,19-21H,5,8-10H2,2-3H3/b7-6-/t12-,13+,14-,15+,16-,17-/m1/s1
InChIKey	UHTQHKGBBZCSIL-UHDJJQEESA-N
chemical formula	C₁₇H₂₆O₆
PubChem CID	162929575
mass	wds:Q105273089-8F237925-60CE-440E-A286-B3B0C0B0260F
mass	326.172938552 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105273089
is main subject of	Doliculols A and B, the non-halogenated C15 acetogenins with cyclic ether from the sea hare Dolabella auricularia
is main subject of	wds:Q104998889-EAC27798-8325-4995-890D-C4C365D9C2D1

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