CHEBI:206341 - Radianspene H

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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 H
ChEBI ID CHEBI:206341
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O6
Net Charge 0
Average Mass 392.492
Monoisotopic Mass 392.21989
InChI InChI=1S/C22H32O6/c1-10(2)14-19(27-11(3)23)17(25)16-18-15-13(20(26)28-18)12(24)6-7-21(15,4)8-9-22(14,16)5/h10,12,14,16-19,24-25H,6-9H2,1-5H3/t12-,14-,16+,17-,18-,19+,21-,22+/m0/s1
InChIKey YMAVCQMSHJECFY-DGDPFIBGSA-N
SMILES O=C1O[C@@H]2[C@@H]3[C@@]([C@@H](C(C)C)[C@H]([C@H]3O)OC(=O)C)(CC[C@]4(C2=C1[C@@H](O)CC4)C)C
Metabolite of Species Details
Coprinus (NCBI:txid5345) See: PubMed
ChEBI Ontology
Outgoing Radianspene H (CHEBI:206341) is a butenolide (CHEBI:50523)
IUPAC Name
[(1R,2R,3S,4R,5R,6R,9R,12S)-3,12-dihydroxy-6,9-dimethyl-14-oxo-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-13(16)-en-4-yl] acetate
Manual Xref Database
32742605 ChemSpider
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