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CHEBI:68283 - microdiplodiasol

Default Structure
ChEBI IDCHEBI:68283
ChEBI Namemicrodiplodiasol
Stars
DefinitionA member of the class of xanthones that is 1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one substituted by hydroxy groups at positions 1, 4, 8 and 9a, a hydroxymethyl group at position 6 and a methyl group at position 4a. Isolated from the endophytic fungus Microdiplodia species, it exhibits antibacterial activity.
Last Modified7 February 2018
DownloadsMolfile
FormulaC15H18O7
Net Charge0
Average Mass310.302
Monoisotopic Mass310.10525
SMILESC[C@@]12Oc3cc(CO)cc(O)c3C(=O)[C@@]1(O)[C@@H](O)CC[C@@H]2O
InChIInChI=1S/C15H18O7/c1-14-10(18)2-3-11(19)15(14,21)13(20)12-8(17)4-7(6-16)5-9(12)22-14/h4-5,10-11,16-19,21H,2-3,6H2,1H3/t10-,11-,14-,15-/m0/s1
InChIKeySCOQIJBVVKZZHE-GVARAGBVSA-N
Species of MetaboliteComponentSourceComments
Microdiplodia (ncbitaxon:371130) - PubMed (21244021) EtOAc extract of an endophytic fungi isolated from Lycium intricatum Strain: 9907
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
microdiplodiasol (CHEBI:68283) has role antibacterial agent (CHEBI:33282)
microdiplodiasol (CHEBI:68283) has role metabolite (CHEBI:25212)
microdiplodiasol (CHEBI:68283) is a benzyl alcohols (CHEBI:22743)
microdiplodiasol (CHEBI:68283) is a phenols (CHEBI:33853)
microdiplodiasol (CHEBI:68283) is a secondary alcohol (CHEBI:35681)
microdiplodiasol (CHEBI:68283) is a tertiary alcohol (CHEBI:26878)
microdiplodiasol (CHEBI:68283) is a tertiary α-hydroxy ketone (CHEBI:139592)
microdiplodiasol (CHEBI:68283) is a xanthones (CHEBI:51149)
IUPAC Name 
(1S*,4S*,4aS*,9aR*)-1,4,8,9a-tetrahydroxy-6-(hydroxymethyl)-4a-methyl-1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one
Citations