About: (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxy-3-methoxybenzoate

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About: (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxy-3-methoxybenzoate Goto Sponge NotDistinct Permalink

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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) 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,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxy-3-methoxybenzoate (en)
skos:prefLabel	(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxy-3-methoxybenzoate (en)
name	(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxy-3-methoxybenzoate (en)
isomeric SMILES	wds:Q104396417-486F9B7A-0B22-4610-80CE-A591886F50E5
isomeric SMILES	COc1cc(C(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)ccc1O
instance of	wds:Q104396417-B0BAF9E9-CE05-4BEB-B5F6-BB78B5049972
instance of	type of chemical entity
subclass of	wds:Q104396417-57E064B2-DB75-46D3-8023-7156815ED4F4
subclass of	1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 4-hydroxy-3-methoxybenzoate
found in taxon	wds:Q104396417-02FF84ED-6FB4-44AD-8025-A8B004748BC4 wds:Q104396417-0583D7F9-05C4-44C9-A140-DA18B55CC060 wds:Q104396417-29ACDDD8-1FC3-43A5-BBF5-DDB42B323B4A wds:Q104396417-4024F706-5D12-4867-94AE-4AA0FCFBB3DA wds:Q104396417-41C09277-547B-4C3D-8B64-8E51D76E5288 wds:Q104396417-90EA6A0A-794E-4E01-AD70-56B4190ECB22 wds:Q104396417-A253B884-D1C4-4D60-97EB-05E48A81F282
found in taxon	Ferula persica Ferula ovina Ferula dissecta Ferula karatavica Ferula pallida Ferula calcarea Ferula stylosa
UniChem compound ID	wds:Q104396417-B8C82CBE-7982-43C6-AAA4-94401DA5CE29
canonical SMILES	wds:Q104396417-2475DED5-98E8-48F9-8CE2-02183B4F95D2
InChI	wds:Q104396417-19217854-54CD-42BF-B8B0-F8B741CA363B
InChIKey	wds:Q104396417-6566D8E2-B826-4A7F-AA31-4441E8209615
chemical formula	wds:Q104396417-14B63C68-EF2D-40B2-B64A-97685C5397C5
PubChem CID	wds:Q104396417-06903A7B-DB2C-45A0-B42F-0BFEB9AA5403
ChEBI ID	wds:Q104396417-174D0C5E-04BD-4225-AB9F-ECF8F57216FF
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID1294694
ChEBI ID	http://purl.obolibrary.org/obo/CHEBI_142517
UniChem compound ID	4624574
canonical SMILES	O=C(OC1CC2CCC1(C)C2(C)C)C3=CC=C(O)C(OC)=C3
InChI	InChI=1S/C18H24O4/c1-17(2)12-7-8-18(17,3)15(10-12)22-16(20)11-5-6-13(19)14(9-11)21-4/h5-6,9,12,15,19H,7-8,10H2,1-4H3/t12-,15+,18+/m0/s1
InChIKey	KTOAGBIQQPGNIR-WBHUJUFNSA-N
chemical formula	C₁₈H₂₄O₄
PubChem CID	1294694
ChEBI ID	142517
mass	wds:Q104396417-1BF844A3-7E2E-4441-994B-DB41B48AAD2D
mass	304.167459248 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q104396417
is main subject of	Phenol derivatives from the roots of Ferula persica Aromatic esters of the roots ofFerula dissecta Esters ofFerula calcarea Esters of Ferula ceratophylla Esters from the roots of Ferula kyzylkumica and F. karategina Structures of angrendiol, ferolin, and chimganidin
is main subject of	wds:Q104396416-44E9FA13-E2F1-4273-BCDD-FE9748FF244E wds:Q105145889-E82EFB8B-63B7-4766-B60B-889258D4C2CB wds:Q104415608-2F128373-100A-41F7-B090-A84E9D6751B8 wds:Q104391663-223FAFBE-03EB-449D-8E28-11BAA95B328F wds:Q104957787-49DDE67D-CF97-4391-A14F-3A8B5CC57FBB wds:Q105145890-6C05C1F9-BED5-46C0-AFD0-335921878341

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