CHEBI:80712 - Rugulosin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Rugulosin
ChEBI ID CHEBI:80712
Stars This entity has been manually annotated by a third party.
Supplier Information ChemicalBook:CB5855401, ZINC000005854633
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Formula C30H22O10
Net Charge 0
Average Mass 542.48970
Monoisotopic Mass 542.12130
InChI InChI=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
InChIKey OYNIPTDPTUSUAY-UHFFFAOYSA-N
SMILES Cc1cc(O)c2C(=O)C3=C(O)C4C(O)C5C6C(O)C(C(O)=C7C(=O)c8c(O)cc(C)cc8C(=O)C467)C35C(=O)c2c1
ChEBI Ontology
Outgoing Rugulosin (CHEBI:80712) is a cyclic ketone (CHEBI:3992)
Rugulosin (CHEBI:80712) is a organic polycyclic compound (CHEBI:51958)
Manual Xrefs Databases
C00018763 KNApSAcK
C16764 KEGG COMPOUND
View more database links
Registry Number Type Source
23537-16-8 CAS Registry Number KEGG COMPOUND
Last Modified
14 June 2016