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CHEBI:68283 - microdiplodiasol

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:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
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)
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