CHEBI:206949 - Rubetaulanorol-beta

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Rubetaulanorol-beta
ChEBI ID CHEBI:206949
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H22O4
Net Charge 0
Average Mass 254.326
Monoisotopic Mass 254.15181
InChI InChI=1S/C14H22O4/c1-12(2)4-7-8(5-12)13(3)6-9-10(7)17-11(15)14(9,16)18-13/h7-11,15-16H,4-6H2,1-3H3/t7-,8+,9-,10+,11+,13+,14-/m1/s1
InChIKey WPUSLCWXCTWURJ-PQZGULJRSA-N
SMILES O1[C@@]2(O)[C@H](O[C@@H]3[C@H]2C[C@]1([C@@H]4[C@H]3CC(C4)(C)C)C)O
Metabolite of Species Details
Russula (NCBI:txid5402) See: PubMed
ChEBI Ontology
Outgoing Rubetaulanorol-beta (CHEBI:206949) is a furofuran (CHEBI:47790)
IUPAC Name
(1S,2S,6R,7S,9S,10R,11R)-1,4,4-trimethyl-8,13-dioxatetracyclo[8.2.1.02,6.07,11]tridecane-9,10-diol