Peyronellone B (CHEBI:209338)

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	Peyronellone B

ChEBI ID	CHEBI:209338

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H22O6

Net Charge

Average Mass

334.368

Monoisotopic Mass

334.14164

InChI

InChI=1S/C18H22O6/c1-5-8(2)18-16(4)10-6-11(19)9(3)14(20)13(10)12(23-18)7-17(16,22)15(21)24-18/h6,8,12,19-20,22H,5,7H2,1-4H3/t8-,12-,16-,17+,18-/m1/s1

InChIKey

RHIUTYRDTYSZNQ-BDGDQTGGSA-N

SMILES

O=C1O[C@]2(O[C@@H]3C[C@@]1(O)[C@]2(C4=C3C(O)=C(C)C(=C4)O)C)[C@@H](CC)C

Metabolite of Species	Details
Didymella glomerata (NCBI:txid749621)	See: PubMed

ChEBI Ontology
Outgoing	Peyronellone B (CHEBI:209338) is a naphthofuran (CHEBI:39270)

IUPAC Name

(1R,2R,9R,11R)-11-[(2R)-butan-2-yl]-1,5,7-trihydroxy-2,6-dimethyl-10,12-dioxatetracyclo[7.4.1.02,11.03,8]tetradeca-3,5,7-trien-13-one