CHEBI:186011 - (+)-Beyerol

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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 (+)-Beyerol
ChEBI ID CHEBI:186011
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O3
Net Charge 0
Average Mass 320.473
Monoisotopic Mass 320.23514
InChI InChI=1S/C20H32O3/c1-17-6-5-16(23)18(2,12-21)14(17)4-8-20-10-9-19(11-20,13-22)7-3-15(17)20/h9-10,14-16,21-23H,3-8,11-13H2,1-2H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1
InChIKey HMKFWGVTZPRBQX-QMNUTNMBSA-N
SMILES O[C@H]1[C@]([C@@]2([C@]([C@]3([C@@]4(C[C@](CC3)(C=C4)CO)CC2)[H])(CC1)C)[H])(CO)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing (+)-Beyerol (CHEBI:186011) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1R,4S,5R,6R,9S,10S,13R)-5,13-bis(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-6-ol
Manual Xref Database
4508988 ChemSpider
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