CHEBI:223304 - Cyathin Q

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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 Cyathin Q
ChEBI ID CHEBI:223304
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H32O3
Net Charge 0
Average Mass 332.484
Monoisotopic Mass 332.23514
InChI InChI=1S/C21H32O3/c1-13(2)15-8-9-20(3)10-11-21(4)16(17(15)20)7-6-14(12-22)18(24-5)19(21)23/h6,12-13,16,18-19,23H,7-11H2,1-5H3/t16-,18-,19+,20-,21-/m1/s1
InChIKey CSMSQWRDDWOVOS-QNDFHXLGSA-N
SMILES O=CC1=CC[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2([C@H]([C@@H]1OC)O)C
Metabolite of Species Details
Cyathus africanus (NCBI:txid380649) See: PubMed
ChEBI Ontology
Outgoing Cyathin Q (CHEBI:223304) is a diterpenoid (CHEBI:23849)
IUPAC Name
(3aR,5aR,6R,7R,10aR)-6-hydroxy-7-methoxy-3a,5a-dimethyl-1-propan-2-yl-2,3,4,5,6,7,10,10a-octahydrocyclohepta[e]indene-8-carbaldehyde
Manual Xref Database
58909702 ChemSpider
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