Herbarin (CHEBI:225263)

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	Herbarin

ChEBI ID	CHEBI:225263

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H16O6

Net Charge

Average Mass

304.298

Monoisotopic Mass

304.09469

InChI

InChI=1S/C16H16O6/c1-16(19)6-10-11(7-22-16)15(18)13-9(14(10)17)4-8(20-2)5-12(13)21-3/h4-5,19H,6-7H2,1-3H3/t16-/m1/s1

InChIKey

MQWLANHTCHDMAR-MRXNPFEDSA-N

SMILES

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

Metabolite of Species	Details
Torula herbarum (NCBI:txid646131)	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	Herbarin (CHEBI:225263) is a benzoisochromanequinone (CHEBI:48129)

IUPAC Name

(3R)-3-hydroxy-7,9-dimethoxy-3-methyl-1,4-dihydrobenzo[g]isochromene-5,10-dione