9-desmethylherbarine (CHEBI:207258)

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	9-desmethylherbarine

ChEBI ID	CHEBI:207258

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H14O6

Net Charge

Average Mass

290.271

Monoisotopic Mass

290.07904

InChI

InChI=1S/C15H14O6/c1-15(19)5-9-10(6-21-15)14(18)12-8(13(9)17)3-7(20-2)4-11(12)16/h3-4,16,19H,5-6H2,1-2H3/t15-/m0/s1

InChIKey

RYQOFJPFFVZQTC-HNNXBMFYSA-N

SMILES

O=C1C2=C(O)C=C(OC)C=C2C(=O)C3=C1CO[C@@](C3)(O)C

Metabolite of Species	Details
Fusarium solani (NCBI:txid169388)	See: PubMed

Roles Classification
Biological Role(s):	antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. (via heterocyclic antibiotic )

ChEBI Ontology
Outgoing	9-desmethylherbarine (CHEBI:207258) is a benzoisochromanequinone (CHEBI:48129)

IUPAC Name

3,9-dihydroxy-7-methoxy-3-methyl-1,4-dihydrobenzo[g]isochromene-5,10-dione