alkannin

chemical compound

Wikidata entity: Q418237

C₁₆H₁₆O₅ (P274)


Wikimedia Commons category is Alkannin



Quantities

P2067mass288.1

P233 canonical SMILES String CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C ???
P373 Commons category String Alkannin ???
P703 found in taxon ... Q856964 (Alkanna tinctoria) Alkanna tinctoria
P703 found in taxon ... Q2863294 (Arnebia hispidissima) Arnebia hispidissima
P703 found in taxon ... Q12847033 (Arnebia decumbens) Arnebia decumbens
P703 found in taxon ... Q15225733 (Arnebia euchroma) Arnebia euchroma
P703 found in taxon ... Q15572388 (Alkanna cappadocica) Alkanna cappadocica
P703 found in taxon ... Q15592453 (Lithospermum erythrorhizon) Lithospermum erythrorhizon
P366 has use ... Q753009 (food coloring) food coloring
P8224 image of molecular model or crystal lattice model CommonsMedia http://commons.wikimedia.org/wiki/Special:FilePath/Alkannin%203D%20spacefill.png ???
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C ???
P1582 natural product of taxon ... Q856964 (Alkanna tinctoria) Alkanna tinctoria
P3364 stereoisomer of ... Q27155024 (anchusin) anchusin
P279 subclass of ... Q105178326 (shikalkin) shikalkin
P279 subclass of ... Q108485826 (2,6-dimethyloctane monoterpenoid) 2,6-dimethyloctane monoterpenoid
P279 subclass of ... Q109559439 (biogenic naphthochinone) biogenic naphthochinone

External Ids
P231CAS Registry Number517-88-4
P683ChEBI ID2578
P592ChEMBL IDCHEMBL28457
P661ChemSpider ID65430
P3117DSSTox substance IDDTXSID201029621
P628E numberE103
P232EC number208-245-7
P2566ECHA Substance Infocard ID100.007.497
P646Freebase ID/m/0ds1qy5
P234InChIInChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m0/s1
P235InChIKeyNEZONWMXZKDMKF-JTQLQIEISA-N
P665KEGG IDC10292
P2064KNApSAcK IDC00002787
P6689MassBank accession IDMSBNK-Univ_Toyama-TY000058
P6366Microsoft Academic ID (discontinued)2779309452
P2840NSC number407295
P2840NSC number94524
P7305Online PWN Encyclopedia ID3869186
P11199Probes And Drugs IDPD098730
P662PubChem CID72521
P5076Römpp online IDRD-01-01461
P4964SPLASHsplash10-000i-0090000000-cfa1da28e0428731fd8b
P2877SureChEMBL ID33968
P11089UniChem compound ID514870
P652UNII075CRZ9995

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