CHEBI:176778 - 3-methyl-3-heptanol

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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-methyl-3-heptanol
ChEBI ID CHEBI:176778
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H18O
Net Charge 0
Average Mass 130.231
Monoisotopic Mass 130.13577
InChI InChI=1S/C8H18O/c1-4-6-7-8(3,9)5-2/h9H,4-7H2,1-3H3
InChIKey PQOSNJHBSNZITJ-UHFFFAOYSA-N
SMILES OC(CCCC)(CC)C
Metabolite of Species Details
Vitis vinifera (NCBI:txid29760) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing 3-methyl-3-heptanol (CHEBI:176778) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
3-methylheptan-3-ol
Manual Xref Database
11218 ChemSpider
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Registry Number Type Source
598-06-1 CAS Registry Number ChemIDplus