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CHEBI:9876 - Undulatone

Default Structure
ChEBI IDCHEBI:9876
ChEBI NameUndulatone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H34O11
Net Charge0
Average Mass534.558
Monoisotopic Mass534.21011
SMILES[H][C@@]12[C@@H](OC(C)=O)C(=O)O[C@]3([H])[C@H](OC(=O)/C(C)=C/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/C27H34O11/c1-7-10(2)22(32)37-17-15-11(3)8-14(29)20(31)25(15,6)24-26-9-35-27(24,34)19(30)12(4)16(26)18(36-13(5)28)23(33)38-21(17)26/h7-8,12,15-21,24,30-31,34H,9H2,1-6H3/b10-7+/t12-,15-,16-,17-,18-,19-,20-,21-,24-,25-,26-,27+/m1/s1
InChIKeyVKCVPDRXEYKUOZ-ZZWVBLAUSA-N
ChEBI Ontology
Outgoing Relation(s)
Undulatone (CHEBI:9876) is a triterpenoid (CHEBI:36615)
Synonym  Source
UndulatoneKEGG COMPOUND
Manual XrefsDatabases
C00003735KNApSAcK
C08787KEGG COMPOUND
Registry NumbersSources
CAS:70993-77-0KEGG COMPOUND