Thielavialide B (CHEBI:202311)

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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 B

ChEBI ID	CHEBI:202311

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/h8,11,15,17H,3-7H2,1-2H3/t8-,11+,13+,14-/m0/s1

InChIKey

XXHYVIAFVXYMHA-RHBIEUIISA-N

SMILES

O=C1C2=C(C[C@]3(O[C@H](CCC3)C)OC2)[C@H]([C@]1(O)C)O

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

ChEBI Ontology
Outgoing	Thielavialide B (CHEBI:202311) is a ketal (CHEBI:59777)

IUPAC Name

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