Asperfuranoid A (CHEBI:208692)

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	Asperfuranoid A

ChEBI ID	CHEBI:208692

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O4

Net Charge

Average Mass

266.337

Monoisotopic Mass

266.15181

InChI

InChI=1S/C15H22O4/c1-4-12(17)10-6-5-9-7-13(15(2,3)18)19-14(9)11(10)8-16/h5-6,12-13,16-18H,4,7-8H2,1-3H3/t12-,13-/m1/s1

InChIKey

ZIHZXANXJPKCTM-CHWSQXEVSA-N

SMILES

O1C2=C(C(=CC=C2C[C@@H]1C(O)(C)C)[C@H](O)CC)CO

Metabolite of Species	Details
Aspergillus (NCBI:txid5052)	See: PubMed

ChEBI Ontology
Outgoing	Asperfuranoid A (CHEBI:208692) is a 1-benzofurans (CHEBI:38830)

IUPAC Name

(1R)-1-[(2R)-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzouran-6-yl]propan-1-ol