About: (2S,3aR,9R,9aS)-3a,9-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3,9,9a-tetrahydrobenzo[f][1]benzofuran-4-one

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About: (2S,3aR,9R,9aS)-3a,9-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3,9,9a-tetrahydrobenzo[f][1]benzofuran-4-one 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	(2S,3aR,9R,9aS)-3a,9-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3,9,9a-tetrahydrobenzo[f][1]benzofuran-4-one (en)
skos:prefLabel	(2S,3aR,9R,9aS)-3a,9-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3,9,9a-tetrahydrobenzo[f][1]benzofuran-4-one (en)
name	(2S,3aR,9R,9aS)-3a,9-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3,9,9a-tetrahydrobenzo[f][1]benzofuran-4-one (en)
isomeric SMILES	wds:Q105378925-9DDB1BA2-8B81-484A-9979-8FB86D41090A
isomeric SMILES	CC(C)(O)[C@@H]1C[C@]2(O)C(=O)c3ccccc3[C@@H](O)[C@@H]2O1
instance of	wds:Q105378925-DB248EB6-856A-4751-A46D-482847A98CE2
instance of	type of chemical entity
subclass of	wds:Q105378925-5BF1212F-B68E-44E4-9E0A-1188CE0027CF
subclass of	3a,9-Dihydroxy-2-(2-hydroxypropan-2-yl)-2,3,9,9a-tetrahydrobenzo[f][1]benzofuran-4-one
found in taxon	wds:Q105378925-7A43577B-F4EA-4CFF-9030-8E5C11C34CF3
found in taxon	Avicennia marina
UniChem compound ID	wds:Q105378925-3836770E-2CA7-49EC-B2F4-7FDE56EFE796
canonical SMILES	wds:Q105378925-83953BDD-BF9F-4744-9716-C25B276CA019
InChI	wds:Q105378925-35C35A81-6E2C-4A78-8A27-4B6E7D58489C
InChIKey	wds:Q105378925-898FCC24-58C9-4819-BE76-931B867499D5
chemical formula	wds:Q105378925-2E3EEBC3-A40E-4F46-BD45-F3E6B7C58221
PubChem CID	wds:Q105378925-1E0A7DAD-5F72-40B9-B330-54874EB956E7
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16737081
UniChem compound ID	27123
canonical SMILES	O=C1C=2C=CC=CC2C(O)C3OC(CC13O)C(O)(C)C
InChI	InChI=1S/C15H18O5/c1-14(2,18)10-7-15(19)12(17)9-6-4-3-5-8(9)11(16)13(15)20-10/h3-6,10-11,13,16,18-19H,7H2,1-2H3/t10-,11+,13-,15-/m0/s1
InChIKey	ZLJJLKHHPMWSAQ-WJNVRWDZSA-N
chemical formula	C₁₅H₁₈O₅
PubChem CID	16737081
mass	wds:Q105378925-97A58878-E219-4512-B795-16946679C3F2
mass	278.115423676 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105378925
is main subject of	Unusual naphthoquinone derivatives from the twigs of Avicennia marina
is main subject of	wds:Q80329849-014B3EF8-86E5-4AA4-A0E0-068B8D5174D1

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