Trichocladinol A (CHEBI:225802)

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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	Trichocladinol A

ChEBI ID	CHEBI:225802

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H18O5

Net Charge

Average Mass

254.282

Monoisotopic Mass

254.11542

InChI

InChI=1S/C13H18O5/c1-7-4-5-9-10-13(7,6-16-8(2)14)11(15)12(3,17-9)18-10/h4-5,7,9-11,15H,6H2,1-3H3/t7-,9+,10+,11?,12+,13-/m0/s1

InChIKey

OORYNKYVIJUTKH-GURNUUQQSA-N

SMILES

O=C(OC[C@]12[C@H](C=C[C@@H]3[C@H]1O[C@](C2O)(O3)C)C)C

Metabolite of Species	Details
Pleotrichocladium opacum (NCBI:txid2016671)	See: DOI

ChEBI Ontology
Outgoing	Trichocladinol A (CHEBI:225802) is a ketal (CHEBI:59777)

IUPAC Name

[(1R,3R,6S,7S,8S)-10-hydroxy-1,6-dimethyl-2,9-dioxatricyclo[5.2.1.03,8]dec-4-en-7-yl]methyl acetate