About: Abiespiroside A

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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	Abiespiroside A (en)
skos:prefLabel	Abiespiroside A (en)
name	Abiespiroside A (en)
isomeric SMILES	wds:Q104923546-0DAE3ABE-B547-44DE-936F-C96526D51B3A
isomeric SMILES	CC1=C[C@@]2(C[C@H](C)[C@H]3CC=C(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3O2)OC1=O
instance of	wds:Q104923546-B1E34DED-F20C-4BC8-8F5E-E439CB5849BD
instance of	type of chemical entity
subclass of	wds:Q104923546-014DB63E-BF0E-4051-A3DC-AEF17D42D12E
subclass of	3',4,7-Trimethyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[3,4,4a,5,8,8a-hexahydrochromene-2,5'-furan]-2'-one
found in taxon	wds:Q104923546-6A5AE45A-A629-43C3-AB4D-A157DE736152
found in taxon	Abies delavayi
UniChem compound ID	wds:Q104923546-4E07856E-5F5E-4EAB-9E4F-29C5B008EFAA
canonical SMILES	wds:Q104923546-221910D4-0BF2-4963-A61A-33D620B21A68
InChI	wds:Q104923546-C2967953-C2BF-430C-AA52-7865F48AC939
InChIKey	wds:Q104923546-12383F78-C1B1-4F19-9584-FD6847546D3A
chemical formula	wds:Q104923546-61FF2655-F94D-4379-AE74-F7687C16C7AE
PubChem CID	wds:Q104923546-19753165-3798-4712-8B10-178428147847
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID50925084
UniChem compound ID	33429402
canonical SMILES	O=C1OC2(OC3C(OC4OC(CO)C(O)C(O)C4O)C(=CCC3C(C)C2)C)C=C1C
InChI	InChI=1S/C21H30O9/c1-9-4-5-12-10(2)6-21(7-11(3)19(26)30-21)29-18(12)17(9)28-20-16(25)15(24)14(23)13(8-22)27-20/h4,7,10,12-18,20,22-25H,5-6,8H2,1-3H3/t10-,12+,13+,14+,15-,16+,17+,18+,20-,21+/m0/s1
InChIKey	BCONTSUKLHOJAZ-VLJBHAMFSA-N
chemical formula	C₂₁H₃₀O₉
PubChem CID	50925084
mass	wds:Q104923546-BDCC1A48-612C-4B48-9B6D-47576177AD3D
mass	426.18898254 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q104923546
is main subject of	Abiespiroside A, an Unprecedented Sesquiterpenoid Spirolactone with a 6/6/5 Ring System from Abies delavayi
is main subject of	wds:Q58339066-1D93AA29-EECA-4BE5-B322-2CD0BAE9590F

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