Rosmadial (CHEBI:174644)

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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	Rosmadial

ChEBI ID	CHEBI:174644

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H24O5

Net Charge

Average Mass

344.407

Monoisotopic Mass

344.16237

InChI

InChI=1S/C20H24O5/c1-11(2)13-8-12(9-21)15-17(16(13)23)25-18(24)20(15)7-5-6-19(3,4)14(20)10-22/h8-11,14,23H,5-7H2,1-4H3/t14-,20+/m0/s1

InChIKey

JBWRHBJFAVSAMJ-VBKZILBWSA-N

SMILES

O1C(=O)[C@]2([C@H](C(CCC2)(C)C)C=O)C3=C1C(O)=C(C=C3C=O)C(C)C

ChEBI Ontology
Outgoing	Rosmadial (CHEBI:174644) is a benzofurans (CHEBI:35259)

IUPAC Name

(1'S,3R)-7-hydroxy-2',2'-dimethyl-2-oxo-6-propan-2-ylspiro[1-benzouran-3,6'-cyclohexane]-1',4-dicarbaldehyde