About: 7,4'-Dihydroxy-8-methylflavan

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About: 7,4'-Dihydroxy-8-methylflavan 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) 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) کیٖمیٲیی مُرَکَب (ks) রাসায়নিক যৌগ (bn) രാസസം‌യുക്തം (ml) compuesto químico (es) cheemsch Verbinnen (nds)
rdfs:label	7,4'-Dihydroxy-8-methylflavan (en)
skos:prefLabel	7,4'-Dihydroxy-8-methylflavan (en)
name	7,4'-Dihydroxy-8-methylflavan (en)
isomeric SMILES	wds:Q27105591-5F0BB28E-53F7-4A7B-9B3A-952B4A378413
stereoisomer of	wds:Q27105591-1B2ED4C2-8795-4BB7-91EC-4401A2D57369
isomeric SMILES	CC1=C(C=CC2=C1O[C@@H](CC2)C3=CC=C(C=C3)O)O
stereoisomer of	(2r)-4',7-Dihydroxy-8-methylflavane
instance of	wds:Q27105591-7564AADC-9E5A-4E50-8125-DEFCCA04AC07
instance of	type of chemical entity
subclass of	wds:Q27105591-BBF9E945-7C36-4D0D-91BE-19BF927B5BB0
subclass of	8C-substituted flavan
found in taxon	wds:Q27105591-370F6243-F9F2-46CB-B7A4-BE57A92D679D wds:Q27105591-5ACA6A83-15C0-4076-827F-BB1511732C06 wds:Q27105591-64289BCA-E609-4C54-B646-1C4F43B31638 wds:Q27105591-79BE9475-A36F-4DEC-92BB-D44240892C07 wds:Q27105591-81AAB1F9-4DED-4255-B4F2-9A70D71FD8F4
found in taxon	Botrytis cinerea Dracaena cochinchinensis Dracaena draco Hymenocallis littoralis Soymida febrifuga
UniChem compound ID	wds:Q27105591-63B09923-9862-4F56-88F4-FFD1E72B31C6
CAS Registry Number	wds:Q27105591-B207678C-FC4D-4319-ABB6-3BF3EEFA7C4E
canonical SMILES	wds:Q27105591-DF7FACC1-7F60-45A4-932A-007AE5715ECE
InChI	wds:Q27105591-2E5C2C6C-A9CB-499E-BFDC-032980A7126E
InChIKey	wds:Q27105591-A4F53B71-55A6-46B8-B308-5211E2557C3E
chemical formula	wds:Q27105591-87B0860D-BDEB-4181-85A5-C43BD9273304
DSSTox substance ID	wds:Q27105591-1632F27C-818F-43E7-9DC0-E23E7AC80886
ChemSpider ID	wds:Q27105591-203EDA55-63E7-4D2E-A415-7242D2920550
PubChem CID	wds:Q27105591-DF5DF24B-B81B-454A-AADA-7A939CC6328F
KEGG ID	wds:Q27105591-7DFB208C-1498-477C-AB6A-75A2BAA92ADD
ChEBI ID	wds:Q27105591-931501F1-3D7F-4A6E-BF3B-28AD9F9D4945
DSSTOX compound identifier	wds:Q27105591-D1062D24-67BF-46D6-94E5-48CE5FE84289
ChemSpider ID	http://rdf.chemspider.com/390813
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID442361
KEGG ID	http://www.kegg.jp/entry/C09650
ChEBI ID	http://purl.obolibrary.org/obo/CHEBI_2245
UniChem compound ID	630733
CAS Registry Number	75412-98-5
canonical SMILES	CC1=C(C=CC2=C1OC(CC2)C3=CC=C(C=C3)O)O
InChI	InChI=1S/C16H16O3/c1-10-14(18)8-4-12-5-9-15(19-16(10)12)11-2-6-13(17)7-3-11/h2-4,6-8,15,17-18H,5,9H2,1H3/t15-/m0/s1
InChIKey	GDHZZZRERDPSTA-HNNXBMFYSA-N
chemical formula	C₁₆H₁₆O₃
DSSTox substance ID	DTXSID20331808
ChemSpider ID	390813
PubChem CID	442361
KEGG ID	C09650
ChEBI ID	2245
DSSTOX compound identifier	DTXCID20282902
ChEMBL ID	wds:Q27105591-C9E56C4B-A246-4FF7-9348-63244A41F97A
ChEMBL ID	http://rdf.ebi.ac.uk/resource/chembl/molecule/CHEMBL251978
ChEMBL ID	CHEMBL251978
LIPID MAPS ID	wds:Q27105591-B789D253-E55F-443B-8E97-EEEDBCFA3505
KNApSAcK ID	wds:Q27105591-85078B58-F78B-415A-9FC6-92076A48F14E
LIPID MAPS ID	LMPK12020230
KNApSAcK ID	C00000953
mass	wds:Q27105591-3B4D63A8-BA18-4194-89CA-29B262CB5D38
mass	256.109944 (xsd:decimal)

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