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CHEBI:220162 - Scopararane H

ChEBI IDCHEBI:220162
ChEBI NameScopararane H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESC=C[C@]1(C)C=C2C(O)C(O)C3C(C)(C)C(=O)C=C[C@]3(C)[C@@]2(O)CC1
InChIInChI=1S/C20H28O4/c1-6-18(4)9-10-20(24)12(11-18)14(22)15(23)16-17(2,3)13(21)7-8-19(16,20)5/h6-8,11,14-16,22-24H,1,9-10H2,2-5H3/t14?,15?,16?,18-,19-,20+/m0/s1
InChIKeyRNZJQFGWISERJP-CNENOYCWSA-N
Species of MetaboliteComponentSourceComments
Eutypellaspecies FS46 (ncbitaxon:1842088) - PubMed (27050657)
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)
Scopararane H (CHEBI:220162) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(4aS,4bS,7R)-7-ethenyl-4b,9,10-trihydroxy-1,1,4a,7-tetramethyl-6,9,10,10a-tetrahydro-5H-phenanthren-2-one
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