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CHEBI:223938 - Xylarinorditerpene P

ChEBI IDCHEBI:223938
ChEBI NameXylarinorditerpene P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O3
Net Charge0
Average Mass306.446
Monoisotopic Mass306.21949
SMILESC[C@]1(CCO)CCC2=C(C1)C(=O)C[C@H]1[C@](C)(O)CCC[C@]21C
InChIInChI=1S/C19H30O3/c1-17(9-10-20)8-5-14-13(12-17)15(21)11-16-18(14,2)6-4-7-19(16,3)22/h16,20,22H,4-12H2,1-3H3/t16-,17-,18-,19-/m1/s1
InChIKeyYIHJHNNFASVDDB-NCXUSEDFSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31961677)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Xylarinorditerpene P (CHEBI:223938) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(1R,4aS,7S,10aR)-1-hydroxy-7-(2-hydroxyethyl)-1,4a,7-trimethyl-2,3,4,5,6,8,10,10a-octahydrophenanthren-9-one