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CHEBI:226207 - (1R,4R,4aR,4bS,7R)-7-ethenyl-4,4b,10-trihydroxy-1,4a,7-trimethyl-9-oxo-3,4,5,6-tetrahydro-2H-phenanthrene-1-carboxylic acid

ChEBI IDCHEBI:226207
ChEBI Name(1R,4R,4aR,4bS,7R)-7-ethenyl-4,4b,10-trihydroxy-1,4a,7-trimethyl-9-oxo-3,4,5,6-tetrahydro-2H-phenanthrene-1-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O6
Net Charge0
Average Mass362.422
Monoisotopic Mass362.17294
SMILESC=C[C@]1(C)C=C2C(=O)C(O)=C3[C@](C)(C(=O)O)CC[C@@H](O)[C@]3(C)[C@@]2(O)CC1
InChIInChI=1S/C20H26O6/c1-5-17(2)8-9-20(26)11(10-17)13(22)14(23)15-18(3,16(24)25)7-6-12(21)19(15,20)4/h5,10,12,21,23,26H,1,6-9H2,2-4H3,(H,24,25)/t12-,17+,18-,19+,20-/m1/s1
InChIKeyIXDZJRZQORSJMR-ARALLLCVSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies S12 (ncbitaxon:556473) - DOI (10.1016/j.tetlet.2019.151045)
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)
(1R,4R,4aR,4bS,7R)-7-ethenyl-4,4b,10-trihydroxy-1,4a,7-trimethyl-9-oxo-3,4,5,6-tetrahydro-2H-phenanthrene-1-carboxylic acid (CHEBI:226207) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(1R,4R,4aR,4bS,7R)-7-ethenyl-4,4b,10-trihydroxy-1,4a,7-trimethyl-9-oxo-3,4,5,6-tetrahydro-2H-phenanthrene-1-carboxylic acid