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CHEBI:15795 - protoaphin aglucone

ChEBI IDCHEBI:15795
ChEBI Nameprotoaphin aglucone
Stars
DefinitionThe aglycone of protaphin, a yellow hydroxylated quinoid pigment found in aphids.
Secondary ChEBI IDsCHEBI:8586, CHEBI:14954, CHEBI:26352
Last Modified6 June 2016
DownloadsMolfile
FormulaC30H28O11
Net Charge0
Average Mass564.543
Monoisotopic Mass564.16316
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/t8-,9-,10-,11-,26-,27-/m1/s1
InChIKeyKLZOEWZFKUESNU-UYFDZFGUSA-N
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
protoaphin aglucone (CHEBI:15795) is a p-quinones (CHEBI:25830)
protoaphin aglucone (CHEBI:15795) is a benzoisochromanequinone (CHEBI:48129)
protoaphin aglucone (CHEBI:15795) is a biphenyls (CHEBI:22888)
protoaphin aglucone (CHEBI:15795) is a phenols (CHEBI:33853)
protoaphin aglucone (CHEBI:15795) is conjugate acid of protoaphin aglucone(1−) (CHEBI:77643)
Incoming Relation(s)
protoaphin aglucone(1−) (CHEBI:77643) is conjugate base of protoaphin aglucone (CHEBI:15795)
IUPAC Name 
(1R,1'R,3R,3'R,4S,4'S)-4,4',7,7',9,9',10-heptahydroxy-1,1',3,3'-tetramethyl-3,3',4,4'-tetrahydro-1H,1'H-5,6'-binaphtho[2,3-c]pyran-5',10'-dione
Synonyms  Source
Protoaphin agluconeKEGG COMPOUND
protoaphin aglyconeKEGG COMPOUND
protaphin agluconeChEBI
protaphin aglyconeChEBI
Manual XrefsDatabases
C02879KEGG COMPOUND