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CHEBI:213369 - Guignarderemophilane B

ChEBI IDCHEBI:213369
ChEBI NameGuignarderemophilane B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC=C(C)[C@H]1C[C@@]2(C)C(=CC1=O)[C@H](O)[C@H](O)C[C@@H]2C
InChIInChI=1S/C15H22O3/c1-8(2)10-7-15(4)9(3)5-13(17)14(18)11(15)6-12(10)16/h6,9-10,13-14,17-18H,1,5,7H2,2-4H3/t9-,10+,13+,14-,15+/m0/s1
InChIKeyOCZNKZTZGZPZCU-MGZPQWHJSA-N
Species of MetaboliteComponentSourceComments
Phyllosticta capitalensis (ncbitaxon:121624) - PubMed (26241103)
ChEBI Ontology
Outgoing Relation(s)
Guignarderemophilane B (CHEBI:213369) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3R,4aR,5S,7R,8S)-7,8-dihydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Manual XrefsDatabases
58999924ChemSpider