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CHEBI:3460 - Castelanone

Default Structure
ChEBI IDCHEBI:3460
ChEBI NameCastelanone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC25H34O9
Net Charge0
Average Mass478.538
Monoisotopic Mass478.22028
SMILES[H][C@@]12[C@@H](OC(=O)CC(C)C)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/C25H34O9/c1-10(2)6-16(27)34-18-17-12(4)19(28)25(31)22-23(5)13(11(3)7-14(26)20(23)29)8-15(33-21(18)30)24(17,22)9-32-25/h7,10,12-13,15,17-20,22,28-29,31H,6,8-9H2,1-5H3/t12-,13+,15-,17-,18-,19-,20-,22-,23-,24+,25+/m1/s1
InChIKeyXYGCQTNZODZWCL-RWTXECNMSA-N
ChEBI Ontology
Outgoing Relation(s)
Castelanone (CHEBI:3460) is a triterpenoid (CHEBI:36615)
Synonym  Source
CastelanoneKEGG COMPOUND
Manual XrefsDatabases
C00003705KNApSAcK
C08755KEGG COMPOUND
Registry NumbersSources
CAS:70424-54-3KEGG COMPOUND