CHEBI:199168 - Cyathin B2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 B2
ChEBI ID CHEBI:199168
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O2
Net Charge 0
Average Mass 300.442
Monoisotopic Mass 300.20893
InChI InChI=1S/C20H28O2/c1-13(2)15-7-8-19(3)9-10-20(4)16(18(15)19)6-5-14(12-21)11-17(20)22/h5,12-13,16H,6-11H2,1-4H3/t16-,19-,20-/m1/s1
InChIKey AVJLILJQVZOXPN-NSISKUIASA-N
SMILES O=C1[C@]2([C@@H](C3=C(C(C)C)CC[C@]3(C)CC2)CC=C(C1)C=O)C
Metabolite of Species Details
Cyathus (NCBI:txid68776) See: DOI
ChEBI Ontology
Outgoing Cyathin B2 (CHEBI:199168) is a diterpenoid (CHEBI:23849)
IUPAC Name
(3aR,5aR,10aR)-3a,5a-dimethyl-6-oxo-1-propan-2-yl-3,4,5,7,10,10a-hexahydro-2H-cyclohepta[e]indene-8-carbaldehyde
Manual Xref Database
75553525 ChemSpider
View more database links