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CHEBI:227632 - Aspewentin D

ChEBI IDCHEBI:227632
ChEBI NameAspewentin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O3
Net Charge0
Average Mass302.414
Monoisotopic Mass302.18819
SMILESC=C[C@]1(C)C=C2C(=O)C=C3C(C)(C)CCC[C@]3(O)[C@@]2(O)CC1
InChIInChI=1S/C19H26O3/c1-5-17(4)9-10-18(21)13(12-17)14(20)11-15-16(2,3)7-6-8-19(15,18)22/h5,11-12,21-22H,1,6-10H2,2-4H3/t17-,18+,19+/m0/s1
InChIKeyKBKYGXGZKGWZIJ-IPMKNSEASA-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 D (CHEBI:227632) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(4aR,4bR,7R)-7-ethenyl-4a,4b-dihydroxy-1,1,7-trimethyl-3,4,5,6-tetrahydro-2H-phenanthren-9-one
Manual XrefsDatabases
58196867ChemSpider