CHEBI:224079 - Rhodocorane I

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ChEBI Name Rhodocorane I
ChEBI ID CHEBI:224079
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H20O3
Net Charge 0
Average Mass 236.311
Monoisotopic Mass 236.14124
InChI InChI=1S/C14H20O3/c1-8-4-5-11(10(3)7-15)13(8)12-6-9(2)14(16)17-12/h6,8,10-11,15H,4-5,7H2,1-3H3/b13-12+/t8-,10-,11-/m1/s1
InChIKey CSVYJQZYIZFTCP-JYLGEYMFSA-N
SMILES O=C1O/C(=C\2/[C@@H]([C@@H](CO)C)CC[C@H]2C)/C=C1C
Metabolite of Species Details
Rhodotus palmatus (NCBI:txid71920) See: PubMed
ChEBI Ontology
Outgoing Rhodocorane I (CHEBI:224079) is a butenolide (CHEBI:50523)
IUPAC Name
(5E)-5-[(2R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-5-methylcyclopentylidene]-3-methyluran-2-one