17-Hydroxy-18-dehydroneogrifolin (CHEBI:201686)

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	17-Hydroxy-18-dehydroneogrifolin

ChEBI ID	CHEBI:201686

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H32O3

Net Charge

Average Mass

344.495

Monoisotopic Mass

344.23514

InChI

InChI=1S/C22H32O3/c1-15(2)21(24)12-10-17(4)8-6-7-16(3)9-11-20-18(5)13-19(23)14-22(20)25/h8-9,13-14,21,23-25H,1,6-7,10-12H2,2-5H3/t21-/m0/s1

InChIKey

JJBWTWMPOYVCGQ-NRFANRHFSA-N

SMILES

OC1=C(C(=CC(=C1)O)C)CC=C(CCC=C(CC[C@H](O)C(=C)C)C)C

ChEBI Ontology
Outgoing	17-Hydroxy-18-dehydroneogrifolin (CHEBI:201686) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name

4-[(2E,6E,10S)-10-hydroxy-3,7,11-trimethyldodeca-2,6,11-trienyl]-5-methylbenzene-1,3-diol