EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:69496 - Sphaeropsidin D

ChEBI IDCHEBI:69496
ChEBI NameSphaeropsidin D
Stars
DefinitionA natural product found in Smardaea species and Diplodia cupressi.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H26O6
Net Charge0
Average Mass362.422
Monoisotopic Mass362.17294
SMILES[H][C@]12C(C)(C)CCC[C@@]13C(=O)O[C@]2(O)C(=O)C1=C[C@@](C)(C=C)C[C@@H](O)[C@@]13O
InChIInChI=1S/C20H26O6/c1-5-17(4)9-11-13(22)20(25)14-16(2,3)7-6-8-18(14,15(23)26-20)19(11,24)12(21)10-17/h5,9,12,14,21,24-25H,1,6-8,10H2,2-4H3/t12-,14+,17-,18+,19+,20-/m1/s1
InChIKeyRGMZNUAVQHIGNL-WSFBEDDRSA-N
Species of MetaboliteComponentSourceComments
Smardaea (ncbitaxon:173111) - PubMed (21999655) Ethyl acetate extract,Endophytic fungus in the living photosynthetic tissue of Ceratodon purpureus. Strain: AZ0432
Diplodia cupressi (ncbitaxon:400389) - PubMed (22124378) Strain: 261.85CBS
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Sphaeropsidin D (CHEBI:69496) has role metabolite (CHEBI:25212)
Sphaeropsidin D (CHEBI:69496) is a γ-lactone (CHEBI:37581)
Synonym  Source
9alpha,11alpha-dihydroxy-7-oxopimara-8(14),15-dien-20-oic acid 6,20-lactoneChEBI
Citations