carminic acid

chemical compound

Wikidata entity: Q76000560

C₂₂H₂₀O₁₃ (P274)



Quantities

P2067mass492.09039069999983

P233 canonical SMILES String Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O ???
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O ???
P3364 stereoisomer of ... Q416860 (carminic acid) carminic acid
P279 subclass of ... Q574302 (anthraquinones) anthraquinones

External Ids
P234InChIInChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7-,14-,19+,20-,21-/m1/s1
P235InChIKeyDGQLVPJVXFOQEV-NGOCYOHBSA-N
P6689MassBank accession IDMSBNK-RIKEN_NPDepo-CB000331
P6689MassBank accession IDMSBNK-RIKEN_NPDepo-NGA00405
P6689MassBank accession IDMSBNK-RIKEN_NPDepo-NGA00406
P6689MassBank accession IDMSBNK-RIKEN_NPDepo-NGA00407
P6689MassBank accession IDMSBNK-RIKEN_NPDepo-NGA00408
P662PubChem CID14749
P2877SureChEMBL ID34094
P11089UniChem compound ID779701

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