CHEBI:152057 - cladofulvin(2−)

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ChEBI Name cladofulvin(2−)
ChEBI ID CHEBI:152057
ChEBI ASCII Name cladofulvin(2-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C30H16O10
Net Charge -2
Average Mass 536.449
Monoisotopic Mass 536.07544
InChI InChI=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
InChIKey XHKQDFVQROFUEL-UHFFFAOYSA-L
SMILES C1(=C(C=CC2=C1C(C3=C(C=C(C(=C3C2=O)C4=C(C=C5C(C=6C=CC(=C(C6C(C5=C4O)=O)O)[O-])=O)C)C)O)=O)[O-])O
ChEBI Ontology
Outgoing cladofulvin(2−) (CHEBI:152057) is a phenolate anion (CHEBI:50525)
cladofulvin(2−) (CHEBI:152057) is conjugate base of cladofulvin (CHEBI:152056)
Incoming 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)
Synonym Source
cladofulvin UniProt
Last Modified
03 June 2020