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CHEBI:220256 - Scopararane E

ChEBI IDCHEBI:220256
ChEBI NameScopararane E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O5
Net Charge0
Average Mass320.385
Monoisotopic Mass320.16237
SMILESC=CC1C=C2C(=O)C(O)=C3C(CCC(O)C3(C)C)[C@@]2(O)[C@H](O)C1
InChIInChI=1S/C18H24O5/c1-4-9-7-11-15(21)16(22)14-10(18(11,23)13(20)8-9)5-6-12(19)17(14,2)3/h4,7,9-10,12-13,19-20,22-23H,1,5-6,8H2,2-3H3/t9?,10?,12?,13-,18+/m1/s1
InChIKeyHXKUYVGKSNPPHQ-HSKOCGKUSA-N
Species of MetaboliteComponentSourceComments
Eutypella (ncbitaxon:140192) - PubMed (22611352)
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 E (CHEBI:220256) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(4bS,5R)-7-ethenyl-2,4b,5,10-tetrahydroxy-1,1-dimethyl-3,4,4a,5,6,7-hexahydro-2H-phenanthren-9-one
Manual XrefsDatabases
78443766ChemSpider