CHEBI:220051 - Davotremulane B

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 Davotremulane B
ChEBI ID CHEBI:220051
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H22O4
Net Charge 0
Average Mass 266.337
Monoisotopic Mass 266.15181
InChI InChI=1S/C15H22O4/c1-8-10-4-15(2,7-16)5-11(10)12-6-19-14(18)9(12)3-13(8)17/h8,10-11,13,16-17H,3-7H2,1-2H3/t8-,10-,11-,13-,15+/m1/s1
InChIKey JWJXTTYKJTWOMU-XEPQBVIJSA-N
SMILES O=C1OCC2=C1C[C@@H](O)[C@H](C)[C@@H]3[C@H]2C[C@](CO)(C)C3
ChEBI Ontology
Outgoing Davotremulane B (CHEBI:220051) is a diterpenoid (CHEBI:23849)
IUPAC Name
(5R,6R,6aS,8S,9aR)-5-hydroxy-8-(hydroxymethyl)-6,8-dimethyl-1,4,5,6,6a,7,9,9a-octahydroazuleno[4,5-c]uran-3-one
Manual Xref Database
78439541 ChemSpider
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