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CHEBI:3455 - Cassiamin C

ChEBI IDCHEBI:3455
ChEBI NameCassiamin C
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H18O8
Net Charge0
Average Mass506.466
Monoisotopic Mass506.10017
SMILESCc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=O)c1c(O)cccc1C3=O)C(=O)c1c(O)cccc1C2=O
InChIInChI=1S/C30H18O8/c1-11-9-15-23(29(37)21-13(25(15)33)5-3-7-17(21)31)27(35)19(11)20-12(2)10-16-24(28(20)36)30(38)22-14(26(16)34)6-4-8-18(22)32/h3-10,31-32,35-36H,1-2H3
InChIKeyVUPMYTWJSPRETC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Cassiamin C (CHEBI:3455) is a anthraquinone (CHEBI:22580)
Synonym  Source
Cassiamin CKEGG COMPOUND
Manual XrefsDatabases
C10308KEGG COMPOUND
C00002800KNApSAcK
Registry NumbersSources
CAS:27567-11-9KEGG COMPOUND