Cyclomillinol (CHEBI:178215)

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	Cyclomillinol

ChEBI ID	CHEBI:178215

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H22O4

Net Charge

Average Mass

326.392

Monoisotopic Mass

326.15181

InChI

InChI=1S/C20H22O4/c1-11-20(2,3)16-7-12-6-13(10-23-18(12)9-19(16)24-11)15-5-4-14(21)8-17(15)22/h4-5,7-9,11,13,21-22H,6,10H2,1-3H3

InChIKey

ANHPMZQXTAKLGG-UHFFFAOYSA-N

SMILES

O1C(C(C2=C1C=C3OCC(CC3=C2)C4=C(O)C=C(O)C=C4)(C)C)C

ChEBI Ontology
Outgoing	Cyclomillinol (CHEBI:178215) is a hydroxyisoflavans (CHEBI:76250)

IUPAC Name

4-(2,3,3-trimethyl-2,5,6,7-tetrahydrouro[3,2-g]chromen-6-yl)benzene-1,3-diol