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CHEBI:146017 - cercosporin(2−)

ChEBI IDCHEBI:146017
ChEBI Namecercosporin(2−)
Stars
ASCII Namecercosporin(2-)
DefinitionA phenolate anion resulting from the deprotonation of the two hydroxy groups at position 5 and 12 of cercosporin. Major microspecies at pH 7.3.
Last Modified17 July 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC29H24O10
Net Charge-2
Average Mass532.501
Monoisotopic Mass532.13804
SMILESCOc1c(C[C@@H](C)O)c2c3c(C[C@@H](C)O)c(OC)c(=O)c4c([O-])cc5c(c6c(cc([O-])c(c1=O)c62)OCO5)c43
InChIInChI=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
InChIKeyDGAZLNHJYDOWLG-GHMZBOCLSA-L
ChEBI Ontology
Outgoing Relation(s)
cercosporin(2−) (CHEBI:146017) is a phenolate anion (CHEBI:50525)
cercosporin(2−) (CHEBI:146017) is conjugate base of cercosporin (CHEBI:3556)
Incoming Relation(s)
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)
Synonym  Source
cercosporin dianionChEBI
UniProt Name  Source
cercosporinUniProt
Citations