Neodunol (CHEBI:174666)

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ChEBI Ontology

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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	Neodunol

ChEBI ID	CHEBI:174666

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H12O4

Net Charge

Average Mass

280.279

Monoisotopic Mass

280.07356

InChI

InChI=1S/C17H12O4/c18-10-1-2-11-13-8-20-15-7-14-9(3-4-19-14)5-12(15)17(13)21-16(11)6-10/h1-7,13,17-18H,8H2

InChIKey

UUDOMPYHVUEXEE-UHFFFAOYSA-N

SMILES

O1C2C(C3=C1C=C(O)C=C3)COC4=C2C=C5C(OC=C5)=C4

ChEBI Ontology
Outgoing	Neodunol (CHEBI:174666) is a pterocarpans (CHEBI:26377)

IUPAC Name

7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,5,8,14(19),15,17-heptaen-17-ol