Pestalotheol C (CHEBI:66737)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	Pestalotheol C

ChEBI ID	CHEBI:66737

Definition	A natural product found in Pestalotiopsis theae.

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

Supplier Information

Download	Molfile XML SDF

Formula

C16H24O4

Net Charge

Average Mass

280.35940

Monoisotopic Mass

280.16746

InChI

InChI=1S/C16H24O4/c1-9(2)5-6-10-7-11-16(14(20-16)13(10)17)8-12(19-11)15(3,4)18/h5-6,11-14,17-18H,7-8H2,1-4H3/b10-6-/t11-,12+,13+,14-,16+/m0/s1

InChIKey

FWSQMPDAXKALDF-MXRRJLFPSA-N

SMILES

[H][C@]12C\C([C@@H](O)[C@]3([H])O[C@]13C[C@@H](O2)C(C)(C)O)=C\C=C(C)C

Metabolite of Species	Details
Pestalotiopsis theae (NCBI:txid218556)	Plant endophytic fungus See: PubMed

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	Pestalotheol C (CHEBI:66737) has role metabolite (CHEBI:25212) Pestalotheol C (CHEBI:66737) is a oxacycle (CHEBI:38104)

Synonym	Source
(1aR,3R,4aS,6Z,7R,7aS)-3-(2-Hydroxy-2-propanyl)-6-(3-methyl-2-buten-1-ylidene)hexahydro-4aH-oxireno[d][1]benzofuran-7-ol	ChEBI

Citation	Type	Source
18303847	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:monosaccharide(CHEBI:35381); ISA:tertiary alcohol(CHEBI:26878); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:epoxide(CHEBI:32955);