CHEBI:211410 - Cyathin B3

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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 B3
ChEBI ID CHEBI:211410
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O3
Net Charge 0
Average Mass 316.441
Monoisotopic Mass 316.20384
InChI InChI=1S/C20H28O3/c1-12(2)14-5-6-18(3)7-8-19(4)15(17(14)18)9-16-13(11-21)10-20(19,22)23-16/h10-12,15-16,22H,5-9H2,1-4H3/t15-,16-,18-,19-,20?/m1/s1
InChIKey GKBGUWADNOULOP-DVRXPUNCSA-N
SMILES O=CC1=CC2(O)[C@@]3(CC[C@@]4(C([C@H]3C[C@H]1O2)=C(C(C)C)CC4)C)C
Metabolite of Species Details
Cyathus helenae (NCBI:txid380658) See: PubMed
ChEBI Ontology
Outgoing Cyathin B3 (CHEBI:211410) is a diterpenoid (CHEBI:23849)
IUPAC Name
(2R,5R,10R,12R)-1-hydroxy-2,5-dimethyl-8-propan-2-yl-15-oxatetracyclo[10.2.1.02,10.05,9]pentadeca-8,13-diene-13-carbaldehyde
Manual Xref Database
78438518 ChemSpider
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