About: (E)-phytyl acetate

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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) cheemesch Verbindung (lb) 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) രാസസം‌യുക്തം (ml) compuesto químico (es)
rdfs:label	(E)-phytyl acetate (en)
skos:prefLabel	(E)-phytyl acetate (en)
name	(E)-phytyl acetate (en)
isomeric SMILES	wds:Q27263062-8045C4E7-DCD1-4648-9D4B-FE6A9FB862FB
stereoisomer of	wds:Q27263062-5530B09B-31E7-4801-AA7E-91830E8B2161 wds:Q27263062-9DDBBE73-AFC4-48C7-9BDF-5706636467B4
isomeric SMILES	C[C@@H](CCC[C@@H](C)CCC/C(=C/COC(=O)C)/C)CCCC(C)C
stereoisomer of	[(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enyl] acetate (Z)-phytyl acetate
FL number	wds:Q27263062-F536E797-F407-4A2E-B807-A0909C2EBE60
FL number	09.691
instance of	wds:Q27263062-0DF3ABC6-A38C-498F-B8CC-EF618D7B3BB5
instance of	type of chemical entity
subclass of	wds:Q27263062-2A120884-085D-43E2-A1C3-7464714447C4 wds:Q27263062-2E9E2D8E-432C-43A9-BA2F-A16FCE40B0E0 wds:Q27263062-C60D3DD0-EF5E-4188-A626-FAFF7F12A6F2
subclass of	biogenic acyclic ester phytane diterpenoid phytyl acetate
found in taxon	wds:Q27263062-0CE68373-46AB-4FC0-87F7-9F71FE7CF099 wds:Q27263062-12BD5DA8-46B1-41AF-9D87-39DBDBF07142 wds:Q27263062-1BD53BE2-725F-48A9-961A-330D47C42FE7 wds:Q27263062-4B6C07CD-A211-47C0-BDA8-4EFDCEED9BD5 wds:Q27263062-6D65C8E2-5C91-4D39-8DFB-7FF3B0135730 wds:Q27263062-7D6943E8-04DD-4DF0-91A3-B8D6FBF734F8 wds:Q27263062-A19B7641-9F08-4F9D-95D2-439EC6111312 wds:Q27263062-B368ED3E-7F6B-4F36-9B3B-EB5B4ED2DB31
found in taxon	Chamaecyparis formosensis Daphne odora Woodwardia radicans Camellia sinensis Caulerpa racemosa Oenanthe javanica Zanthoxylum beecheyanum Leucosidea sericea
UniChem compound ID	wds:Q27263062-AED04211-E76A-4F48-AD2C-FAAAD22A0741
CAS Registry Number	wds:Q27263062-E9C72972-8A4E-475D-9F7C-D9C7C1A79EE6
EC number	wds:Q27263062-29EAB39B-3F84-4B4B-9892-52E471B1F8A4
canonical SMILES	wds:Q27263062-48764B1B-8158-426E-85C7-CE740D1DEFA0
InChI	wds:Q27263062-176C19AE-0913-414F-B4CA-F185D2E7A766
InChIKey	wds:Q27263062-6C25B32B-5495-4EFC-B908-47B0B65E9E8B
ECHA Substance Infocard ID	wds:Q27263062-289457D3-E8D8-457D-AD92-64C659098B0D
chemical formula	wds:Q27263062-DDF7D90A-6C16-403E-986A-1859A29F138F
DSSTox substance ID	wds:Q27263062-F8240245-6963-419D-88F5-0B42DFC2BD97
UNII	wds:Q27263062-8AEE07C8-0668-467A-9FEE-E2E669E5DA2E
ChemSpider ID	wds:Q27263062-80873261-B1BA-4E86-BA3D-EF89E6171C90
PubChem CID	wds:Q27263062-F9A2648A-67D0-4CAE-994C-4E5FED04DC4E
AICS Chemical ID (BEING DELETED)	wds:Q27263062-8A5D0FC5-7E81-49F7-A9D6-27300F3B3F0E
DSSTOX compound identifier	wds:Q27263062-96650D49-367A-4EFE-9193-137EA337193E
ChemSpider ID	http://rdf.chemspider.com/552835
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID637195
UniChem compound ID	14417227
CAS Registry Number	10236-16-5
EC number	233-565-9
canonical SMILES	CC(C)CCCC(C)CCCC(C)CCCC(=CCOC(=O)C)C
InChI	InChI=1S/C22H42O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h16,18-20H,7-15,17H2,1-6H3/b21-16+/t19-,20-/m1/s1
InChIKey	JIGCTXHIECXYRJ-ILWBRPEASA-N
ECHA Substance Infocard ID	100.030.501
chemical formula	C₂₂H₄₂O₂
DSSTox substance ID	DTXSID00893616

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