CHEBI:202464 - Cyafrin B4

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 Cyafrin B4
ChEBI ID CHEBI:202464
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O4
Net Charge 0
Average Mass 332.440
Monoisotopic Mass 332.19876
InChI InChI=1S/C20H28O4/c1-11(2)17-15(23)9-19(3)5-6-20(4)13(18(17)19)8-14(22)12(10-21)7-16(20)24/h7,11,13-14,21-22H,5-6,8-10H2,1-4H3/t13-,14-,19+,20-/m1/s1
InChIKey JYAKMCSWIHRGGB-VPCNSNALSA-N
SMILES O=C1C=C([C@H](O)C[C@H]2[C@]1(CC[C@@]3(C2=C(C(=O)C3)C(C)C)C)C)CO
Metabolite of Species Details
Cyathus (NCBI:txid68776) See: DOI
ChEBI Ontology
Outgoing Cyafrin B4 (CHEBI:202464) is a diterpenoid (CHEBI:23849)
IUPAC Name
(3aS,5aR,9R,10aR)-9-hydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-propan-2-yl-3,4,5,9,10,10a-hexahydrocyclohepta[e]indene-2,6-dione
Manual Xref Database
78442547 ChemSpider
View more database links