Thielavialide A (CHEBI:201966)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Thielavialide A

ChEBI ID	CHEBI:201966

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H20O5

Net Charge

Average Mass

268.309

Monoisotopic Mass

268.13107

InChI

InChI=1S/C14H20O5/c1-8-4-3-5-14(19-8)6-9-10(7-18-14)12(16)13(2,17)11(9)15/h8,12,16-17H,3-7H2,1-2H3/t8-,12+,13+,14-/m0/s1

InChIKey

UOOOPJKFPIXGCM-IYMWITQMSA-N

SMILES

O=C1C2=C(CO[C@]3(C2)O[C@H](CCC3)C)[C@H]([C@@]1(O)C)O

Metabolite of Species	Details
Thielaviaspecies PA0001 (NCBI:txid1511729)	See: PubMed

ChEBI Ontology
Outgoing	Thielavialide A (CHEBI:201966) is a ketal (CHEBI:59777)

IUPAC Name

(3S,6S,6'S,7R)-6,7-dihydroxy-6,6'-dimethylspiro[4,7-dihydro-1H-cyclopenta[c]pyran-3,2'-oxane]-5-one