CHEBI:5968 - Iridotrial

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Iridotrial
ChEBI ID CHEBI:5968
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C10H14O3
Net Charge 0
Average Mass 182.217
Monoisotopic Mass 182.09429
InChI InChI=1S/C10H14O3/c1-7-2-3-9(10(7)6-13)8(4-11)5-12/h4-7,9-11H,2-3H2,1H3/b8-4+/t7-,9+,10+/m0/s1
InChIKey PFGBAVLSGZLAAY-JYPFKNLRSA-N
SMILES C[C@H]1CC[C@@H]([C@@H]1C=O)C(\C=O)=C\O
ChEBI Ontology
Outgoing Iridotrial (CHEBI:5968) is a monoterpenoid (CHEBI:25409)
Synonyms Sources
(1S,2R,3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde KEGG COMPOUND
Iridotrial KEGG COMPOUND
Manual Xref Database
C06070 KEGG COMPOUND
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Last Modified
28 July 2014