CHEBI:178395 - 4S,5S-cruentol

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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 4S,5S-cruentol
ChEBI ID CHEBI:178395
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H20O
Net Charge 0
Average Mass 144.258
Monoisotopic Mass 144.15142
InChI InChI=1S/C9H20O/c1-4-6-8(3)9(10)7-5-2/h8-10H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKey YLTHHPQUTLMNIF-IUCAKERBSA-N
SMILES O[C@H]([C@H](CCC)C)CCC
ChEBI Ontology
Outgoing 4S,5S-cruentol (CHEBI:178395) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(4S,5S)-5-methyloctan-4-ol
Manual Xrefs Databases
9205137 ChemSpider
LMFA05000487 LIPID MAPS
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