CHEBI:192513 - 3'-dehydrocarminate(2−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3'-dehydrocarminate(2−)
ChEBI ID CHEBI:192513
ChEBI ASCII Name 3'-dehydrocarminate(2-)
Definition Major species at pH 7.3
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C22H16O13
Net Charge -2
Average Mass 488.358
Monoisotopic Mass 488.06019
InChI InChI=1S/C22H18O13/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/h2,7,14,20-21,23-24,26,28-30,32H,3H2,1H3,(H,33,34)/p-2/t7-,14-,20-,21+/m1/s1
InChIKey DZLXWZXWMQZUAN-NDYUPKPWSA-L
SMILES C=1(C(=C2C(C3=C(C=C(O)C(C([O-])=O)=C3C)C(C2=C(O)C1[O-])=O)=O)O)[C@@H]4O[C@@H]([C@H](C([C@H]4O)=O)O)CO
ChEBI Ontology
Outgoing 3'-dehydrocarminate(2−) (CHEBI:192513) is a monocarboxylic acid anion (CHEBI:35757)
3'-dehydrocarminate(2−) (CHEBI:192513) is a phenolate anion (CHEBI:50525)
Synonym Source
3'-dehydrocarminate UniProt
Citation Waiting for Citations Type Source
34583991 PubMed citation SUBMITTER