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CHEBI:80712 - Rugulosin

ChEBI IDCHEBI:80712
ChEBI NameRugulosin
Stars
Last Modified14 June 2016
DownloadsMolfile
FormulaC30H22O10
Net Charge0
Average Mass542.496
Monoisotopic Mass542.12130
SMILESCc1cc(O)c2c(c1)C(=O)C13C(=C(O)C4C(O)C1C1C(O)C3C(O)=C3C(=O)c5c(O)cc(C)cc5C(=O)C341)C2=O
InChIInChI=1S/C30H22O10/c1-7-3-9-13(11(31)5-7)21(33)17-25(37)20-23(35)15-16-24(36)19(29(15,17)27(9)39)26(38)18-22(34)14-10(28(40)30(16,18)20)4-8(2)6-12(14)32/h3-6,15-16,19-20,23-24,31-32,35-38H,1-2H3
InChIKeyOYNIPTDPTUSUAY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Rugulosin (CHEBI:80712) is a cyclic ketone (CHEBI:3992)
Rugulosin (CHEBI:80712) is a organic polycyclic compound (CHEBI:51958)
Manual XrefsDatabases
C16764KEGG COMPOUND
C00018763KNApSAcK
Registry NumbersSources
CAS:23537-16-8KEGG COMPOUND