CHEBI:146017 - cercosporin(2−)

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ChEBI Name cercosporin(2−) ChEBI ID CHEBI:146017 ChEBI ASCII Name cercosporin(2-) Definition A phenolate anion resulting from the deprotonation of the two hydroxy groups at position 5 and 12 of cercosporin. Major microspecies at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H24O10 Net Charge -2 Average Mass 532.502 Monoisotopic Mass 532.13804 InChI InChI=1S/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-33H,5-6,9H2,1-4H3/p-2/t10-,11-/m1/s1 InChIKey DGAZLNHJYDOWLG-GHMZBOCLSA-L SMILES C1=2C3=C4C5=C(C(=O)C(=C4C[C@@H](C)O)OC)C([O-])=CC6=C5C1=C(C=C(C2C(=O)C(=C3C[C@@H](C)O)OC)[O-])OCO6 ChEBI Ontology Outgoing cercosporin(2−) (CHEBI:146017) is a phenolate anion (CHEBI:50525) cercosporin(2−) (CHEBI:146017) is conjugate base of cercosporin (CHEBI:3556) Incoming cercosporin (CHEBI:3556) is conjugate acid of cercosporin(2−) (CHEBI:146017) IUPAC Name 8,9-bis[(2R)-2-hydroxypropyl]-7,10-dimethoxy-6,11-dioxo-6,11-dihydroperylo[1,12-def][1,3]dioxepine-5,12-bis(olate) Synonyms Sources cercosporin UniProt cercosporin dianion ChEBI Citation Type Source 26938470 PubMed citation SUBMITTER Last Modified 17 July 2020