Armillaribin (CHEBI:175182)

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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	Armillaribin

ChEBI ID	CHEBI:175182

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C24H30O5

Net Charge

Average Mass

398.499

Monoisotopic Mass

398.20932

InChI

InChI=1S/C24H30O5/c1-13-6-16(28-5)8-18(26)20(13)22(27)29-19-11-24(4)17-10-23(2,3)9-14(17)7-15(12-25)21(19)24/h6,8,12,14,17,19,26H,7,9-11H2,1-5H3

InChIKey

HWLRIFRIRNSGBG-UHFFFAOYSA-N

SMILES

O(C1C=2C(C3C(CC(C3)(C)C)CC2C=O)(C1)C)C(=O)C=4C(=CC(OC)=CC4O)C

ChEBI Ontology
Outgoing	Armillaribin (CHEBI:175182) is a benzoate ester (CHEBI:36054) Armillaribin (CHEBI:175182) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name

(3-ormyl-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl) 2-hydroxy-4-methoxy-6-methylbenzoate