CHEBI:204812 - 3-Hydroxycitronellic acid

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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 3-Hydroxycitronellic acid
ChEBI ID CHEBI:204812
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H18O3
Net Charge 0
Average Mass 186.251
Monoisotopic Mass 186.12559
InChI InChI=1S/C10H18O3/c1-8(2)5-4-6-10(3,13)7-9(11)12/h5,13H,4,6-7H2,1-3H3,(H,11,12)/t10-/m1/s1
InChIKey BGEHAKLYDDCRJH-SNVBAGLBSA-N
SMILES O=C(O)C[C@](O)(CCC=C(C)C)C
Metabolite of Species Details
Ceratocystis fimbriata (NCBI:txid5158) See: DOI
ChEBI Ontology
Outgoing 3-Hydroxycitronellic acid (CHEBI:204812) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(3R)-3-hydroxy-3,7-dimethyloct-6-enoic acid
Manual Xref Database
110567661 ChemSpider
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