CHEBI:172095 - 2-Hydroxypropyl 2-isopropyl-5-methylcyclohexyl carbonate

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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 2-Hydroxypropyl 2-isopropyl-5-methylcyclohexyl carbonate
ChEBI ID CHEBI:172095
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H26O4
Net Charge 0
Average Mass 258.358
Monoisotopic Mass 258.18311
InChI InChI=1S/C14H26O4/c1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-8-11(4)15/h9-13,15H,5-8H2,1-4H3
InChIKey FLYJSXDJKBHQAU-UHFFFAOYSA-N
SMILES O(C1C(CCC(C1)C)C(C)C)C(OCC(O)C)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing 2-Hydroxypropyl 2-isopropyl-5-methylcyclohexyl carbonate (CHEBI:172095) is a p-menthane monoterpenoid (CHEBI:25186)
IUPAC Name
2-hydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate
Manual Xrefs Databases
8374555 ChemSpider
HMDB0059946 HMDB
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