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CHEBI:206044 - 1beta-hydroxy-2alpha-hydro-asterogynin A

Default Structure
ChEBI IDCHEBI:206044
ChEBI Name1beta-hydroxy-2alpha-hydro-asterogynin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O6
Net Charge0
Average Mass330.336
Monoisotopic Mass330.11034
SMILESCO[C@@H]1C(=O)C[C@@]2(O)C(=O)c3c(ccc4c3CCC4=O)[C@@]2(C)[C@@H]1O
InChIInChI=1S/C18H18O6/c1-17-10-5-3-8-9(4-6-11(8)19)13(10)15(21)18(17,23)7-12(20)14(24-2)16(17)22/h3,5,14,16,22-23H,4,6-7H2,1-2H3/t14-,16-,17+,18-/m1/s1
InChIKeyNTYZCXLZYLQXOV-NRSFXHEJSA-N
Species of MetaboliteComponentSourceComments
Hymenoscyphus fraxineus (ncbitaxon:746836) - PubMed (22732888)
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)
1beta-hydroxy-2alpha-hydro-asterogynin A (CHEBI:206044) is a fluorenes (CHEBI:24059)
IUPAC Name 
(5bS,6S,7S,9aS)-6,9a-dihydroxy-7-methoxy-5b-methyl-2,6,7,9-tetrahydro-1H-cyclopenta[a]luorene-3,8,10-trione
Manual XrefsDatabases
78437856ChemSpider