cis-trans-Iridodial (CHEBI:182940)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	cis-trans-Iridodial

ChEBI ID	CHEBI:182940

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H16O2

Net Charge

Average Mass

168.236

Monoisotopic Mass

168.11503

InChI

InChI=1S/C10H16O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-10H,3-4H2,1-2H3/t7-,8+,9+,10+/m0/s1

InChIKey

HMCYXRFNNOPPPR-SGIHWFKDSA-N

SMILES

O=C[C@H]1[C@](CC[C@@H]1C)([C@H](C)C=O)[H]

ChEBI Ontology
Outgoing	cis-trans-Iridodial (CHEBI:182940) is a monoterpenoid (CHEBI:25409)

IUPAC Name

(1R,2S,5R)-2-methyl-5-[(2S)-1-oxopropan-2-yl]cyclopentane-1-carbaldehyde