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CHEBI:31049 - 100-2

ChEBI IDCHEBI:31049
ChEBI Name100-2
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC31H36O12
Net Charge0
Average Mass600.617
Monoisotopic Mass600.22068
SMILESC[C@@H]1O[C@@H](O[C@]23C(=O)C[C@](C)(O)C[C@@]2(O)C=CC2=C3C(=O)c3ccc([C@H]4C[C@@H](O)[C@H](O)[C@@H](C)O4)c(O)c3C2=O)CC[C@@H]1O
InChIInChI=1S/C31H36O12/c1-13-18(32)6-7-22(42-13)43-31-21(34)11-29(3,39)12-30(31,40)9-8-17-24(31)28(38)16-5-4-15(26(36)23(16)27(17)37)20-10-19(33)25(35)14(2)41-20/h4-5,8-9,13-14,18-20,22,25,32-33,35-36,39-40H,6-7,10-12H2,1-3H3/t13-,14+,18-,19+,20+,22-,25+,29-,30-,31-/m0/s1
InChIKeyKTRHQPOPFOJYBM-RKMMAMRYSA-N
ChEBI Ontology
Outgoing Relation(s)
100-2 (CHEBI:31049) is a anthraquinone (CHEBI:22580)
100-2 (CHEBI:31049) is a glycoside (CHEBI:24400)
Synonym  Source
100-2KEGG COMPOUND
Manual XrefsDatabases
C12408KEGG COMPOUND