About: Deoxoscalarin Acetate

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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	Deoxoscalarin Acetate (en)
skos:prefLabel	Deoxoscalarin Acetate (en)
name	Deoxoscalarin Acetate (en)
isomeric SMILES	wds:Q105216068-7A7D47AE-5388-486D-8761-483213FE550F
isomeric SMILES	CC(=O)O[C@@H]1OCC2=CC[C@@H]3[C@](C)([C@@H](OC(C)=O)C[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]34C)[C@H]21
instance of	wds:Q105216068-947B5250-4361-4D37-A8F9-AB538A04B543
instance of	type of chemical entity
subclass of	wds:Q105216068-1CB3A52A-B63A-4A67-BE37-37840FA59D97
subclass of	scalarane sesterterpenoid
found in taxon	wds:Q105216068-CAE17553-59D5-4817-9614-86D9C57F9422
found in taxon	Glossodoris rufomarginata
UniChem compound ID	wds:Q105216068-D8C7BF52-5663-418E-86FF-B8BA6C86C4AB
canonical SMILES	wds:Q105216068-1C568BF2-1765-4EF1-BA10-F1A70D4824B2
InChI	wds:Q105216068-A8C13AE6-4AF2-442F-8152-C8EC22E5BCFC
InChIKey	wds:Q105216068-E5E7D841-A8DE-41EB-8A2B-00CDC55C15F3
chemical formula	wds:Q105216068-F1C75A0A-806F-4393-BA08-E6BAC835E967
PubChem CID	wds:Q105216068-D91EAFE9-7EA1-4B92-8243-F994E222E432
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID20847524
UniChem compound ID	602393
canonical SMILES	O=C(OC1OCC2=CCC3C4(C)CCC5C(C)(C)CCCC5(C)C4CC(OC(=O)C)C3(C)C21)C
InChI	InChI=1S/C29H44O5/c1-17(30)33-23-15-22-27(5)13-8-12-26(3,4)20(27)11-14-28(22,6)21-10-9-19-16-32-25(34-18(2)31)24(19)29(21,23)7/h9,20-25H,8,10-16H2,1-7H3/t20-,21-,22+,23-,24+,25-,27-,28-,29+/m0/s1
InChIKey	PWZNQDXAKXXQDZ-XFQIVKISSA-N
chemical formula	C₂₉H₄₄O₅
PubChem CID	20847524
mass	wds:Q105216068-68F5CE35-1A59-4064-91A2-867F12B62BFA
mass	472.318874508 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105216068
is main subject of	Scalarane metabolites of the nudibranch Glossodoris rufomarginata and Its dietary sponge from the South China Sea.
is main subject of	wds:Q45202395-C91C95F7-B56D-4988-91FD-EC22F7543FFE

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