Fragransol D (CHEBI:175759)

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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	Fragransol D

ChEBI ID	CHEBI:175759

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H22O6

Net Charge

Average Mass

370.401

Monoisotopic Mass

370.14164

InChI

InChI=1S/C21H22O6/c1-12-15-7-13(5-4-6-22)8-16(23-2)20(15)27-19(12)14-9-17(24-3)21-18(10-14)25-11-26-21/h4-5,7-10,12,19,22H,6,11H2,1-3H3/b5-4+

InChIKey

ALMMZKOPVITQNK-SNAWJCMRSA-N

SMILES

O1C(C(C2=C1C(OC)=CC(=C2)/C=C/CO)C)C3=CC=4OCOC4C(OC)=C3

ChEBI Ontology
Outgoing	Fragransol D (CHEBI:175759) is a benzofurans (CHEBI:35259)

IUPAC Name

(E)-3-[7-methoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-2,3-dihydro-1-benzouran-5-yl]prop-2-en-1-ol