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CHEBI:77643 - protoaphin aglucone(1−)

ChEBI IDCHEBI:77643
ChEBI Nameprotoaphin aglucone(1−)
Stars
ASCII Nameprotoaphin aglucone(1-)
DefinitionA phenolate anion that is the conjugate base of protoaphin aglucone, obtained by deprotonation of the phenolic hydroxy group at position 7'; major species at pH 7.3.
Last Modified17 April 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC30H27O11
Net Charge-1
Average Mass563.535
Monoisotopic Mass563.15589
SMILESC[C@H]1O[C@H](C)[C@@H](O)C2=C1C(=O)c1c(O)cc([O-])c(-c3c4c(c(O)c5c(O)cc(O)cc35)[C@@H](C)O[C@H](C)[C@H]4O)c1C2=O
InChIInChI=1S/C30H28O11/c1-8-17-23(26(35)10(3)40-8)20(13-5-12(31)6-14(32)19(13)28(17)37)21-15(33)7-16(34)22-24(21)30(39)25-18(29(22)38)9(2)41-11(4)27(25)36/h5-11,26-27,31-37H,1-4H3/p-1/t8-,9-,10-,11-,26-,27-/m1/s1
InChIKeyKLZOEWZFKUESNU-UYFDZFGUSA-M
ChEBI Ontology
Outgoing Relation(s)
protoaphin aglucone(1−) (CHEBI:77643) is a phenolate anion (CHEBI:50525)
protoaphin aglucone(1−) (CHEBI:77643) is conjugate base of protoaphin aglucone (CHEBI:15795)
Incoming Relation(s)
protoaphin aglucone (CHEBI:15795) is conjugate acid of protoaphin aglucone(1−) (CHEBI:77643)
IUPAC Name 
(1R,1'R,3R,3'R,4S,4'S)-4,4',7,9,9',10-hexahydroxy-1,1',3,3'-tetramethyl-5',10'-dioxo-3,3',4,4',5',10'-hexahydro-1H,1'H-5,6'-bibenzo[g]isochromen-7'-olate
UniProt Name  Source
protoaphin agluconeUniProt