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CHEBI:9208 - Soularubinone

Default Structure
ChEBI IDCHEBI:9208
ChEBI NameSoularubinone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC25H34O10
Net Charge0
Average Mass494.537
Monoisotopic Mass494.21520
SMILES[H][C@@]12[C@@H](OC(=O)CC(C)(C)O)C(=O)O[C@]3([H])C[C@@]4([H])C(C)=CC(=O)[C@@H](O)[C@]4(C)[C@]4([H])[C@]13CO[C@@]4(O)[C@H](O)[C@@H]2C
InChIInChI=1S/C25H34O10/c1-10-6-13(26)19(29)23(5)12(10)7-14-24-9-33-25(32,21(23)24)18(28)11(2)16(24)17(20(30)34-14)35-15(27)8-22(3,4)31/h6,11-12,14,16-19,21,28-29,31-32H,7-9H2,1-5H3/t11-,12+,14-,16-,17-,18-,19-,21-,23-,24+,25+/m1/s1
InChIKeyBASHMUPTLJHSQJ-ZGXGNEARSA-N
ChEBI Ontology
Outgoing Relation(s)
Soularubinone (CHEBI:9208) is a triterpenoid (CHEBI:36615)
Synonym  Source
SoularubinoneKEGG COMPOUND
Manual XrefsDatabases
C00003732KNApSAcK
C08784KEGG COMPOUND
Registry NumbersSources
CAS:74156-49-3KEGG COMPOUND