CHEBI:9244 - Spruceanol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Spruceanol
ChEBI ID CHEBI:9244
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H28O2
Net Charge 0
Average Mass 300.436
Monoisotopic Mass 300.20893
InChI InChI=1S/C20H28O2/c1-6-13-12(2)16(21)11-15-14(13)7-8-17-19(3,4)18(22)9-10-20(15,17)5/h6,11,17-18,21-22H,1,7-10H2,2-5H3/t17-,18-,20+/m1/s1
InChIKey KNSRUHGNXCWGHF-GGPKGHCWSA-N
SMILES Cc1c(O)cc2c(CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]23C)c1C=C
ChEBI Ontology
Outgoing Spruceanol (CHEBI:9244) is a diterpenoid (CHEBI:23849)
Synonym Source
Spruceanol KEGG COMPOUND
Manual Xrefs Databases
C00003484 KNApSAcK
C09188 KEGG COMPOUND
View more database links
Registry Number Type Source
72963-56-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014