MAB 4 (CHEBI:175944)

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	MAB 4

ChEBI ID	CHEBI:175944

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H28O6

Net Charge

Average Mass

388.460

Monoisotopic Mass

388.18859

InChI

InChI=1S/C22H28O6/c1-6-8-12-9-15(23)28-20-13-10-14(22(4,5)26)27-21(13)17(19(25)16(12)20)18(24)11(3)7-2/h9,11,14,25-26H,6-8,10H2,1-5H3

InChIKey

KTJYLXIAFCVVBF-UHFFFAOYSA-N

SMILES

O1C(CC=2C1=C(C(O)=C3C2OC(=O)C=C3CCC)C(=O)C(CC)C)C(O)(C)C

ChEBI Ontology
Outgoing	MAB 4 (CHEBI:175944) is a furanocoumarin (CHEBI:24128)

IUPAC Name

5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(2-methylbutanoyl)-4-propyl-8,9-dihydrouro[2,3-h]chromen-2-one