CHEBI:199904 - Radianspene C

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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 Radianspene C
ChEBI ID CHEBI:199904
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O4
Net Charge 0
Average Mass 334.456
Monoisotopic Mass 334.21441
InChI InChI=1S/C20H30O4/c1-11(2)16-18(24)17(23)14-9-13-12(10-21)15(22)5-6-19(13,3)7-8-20(14,16)4/h9,11,16-18,21,23-24H,5-8,10H2,1-4H3/t16-,17-,18+,19-,20-/m0/s1
InChIKey OTUPIQJUQWGDQX-KNJMJIDISA-N
SMILES O=C1C(=C2C=C3[C@]([C@@H](C(C)C)[C@H]([C@H]3O)O)(C)CC[C@]2(C)CC1)CO
Metabolite of Species Details
Coprinus (NCBI:txid5345) See: PubMed
ChEBI Ontology
Outgoing Radianspene C (CHEBI:199904) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(1S,2R,3R,3aR,5aR)-1,2-dihydroxy-9-(hydroxymethyl)-3a,5a-dimethyl-3-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-benzo[]azulen-8-one
Manual Xref Database
32742601 ChemSpider
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