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CHEBI:227639 - Aspewentin E

ChEBI IDCHEBI:227639
ChEBI NameAspewentin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O3
Net Charge0
Average Mass302.414
Monoisotopic Mass302.18819
SMILESC=C[C@]1(C)C=C2C(=O)C=C3C(C)(C)CC[C@@H](O)[C@]3(O)[C@H]2CC1
InChIInChI=1S/C19H26O3/c1-5-18(4)9-6-13-12(11-18)14(20)10-15-17(2,3)8-7-16(21)19(13,15)22/h5,10-11,13,16,21-22H,1,6-9H2,2-4H3/t13-,16+,18-,19-/m0/s1
InChIKeyCTJHIWATLDAYJJ-BIGGFVEDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27148955)
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)
Aspewentin E (CHEBI:227639) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(4R,4aS,4bS,7R)-7-ethenyl-4,4a-dihydroxy-1,1,7-trimethyl-2,3,4,4b,5,6-hexahydrophenanthren-9-one
Manual XrefsDatabases
58196868ChemSpider