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CHEBI:152057 - cladofulvin(2−)

ChEBI IDCHEBI:152057
ChEBI Namecladofulvin(2−)
Stars
ASCII Namecladofulvin(2-)
DefinitionA phenolate anion that is the dianion of cladofulvin, obtained from the deprotonation of the 6 and 7'-hydroxy groups. Major species at pH 7.3.
Last Modified3 June 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H16O10
Net Charge-2
Average Mass536.448
Monoisotopic Mass536.07544
SMILESCc1cc2c(c(O)c1-c1c(C)cc(O)c3c1C(=O)c1ccc([O-])c(O)c1C3=O)C(=O)c1c(ccc([O-])c1O)C2=O
InChIInChI=1S/C30H18O10/c1-9-7-13-21(29(39)19-11(24(13)34)3-5-14(31)26(19)36)28(38)18(9)17-10(2)8-16(33)22-23(17)25(35)12-4-6-15(32)27(37)20(12)30(22)40/h3-8,31-33,36-38H,1-2H3/p-2
InChIKeyXHKQDFVQROFUEL-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
cladofulvin(2−) (CHEBI:152057) is a phenolate anion (CHEBI:50525)
cladofulvin(2−) (CHEBI:152057) is conjugate base of cladofulvin (CHEBI:152056)
Incoming Relation(s)
cladofulvin (CHEBI:152056) is conjugate acid of cladofulvin(2−) (CHEBI:152057)
IUPAC Name 
1',4,5,8'-tetrahydroxy-2,3'-dimethyl-9,9',10,10'-tetraoxo-9,9',10,10'-tetrahydro[1,2'-bianthracene]-6,7'-bis(olate)
UniProt Name  Source
cladofulvinUniProt