3-O-Methylanhydrotuberosin (CHEBI:166647)

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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	3-O-Methylanhydrotuberosin

ChEBI ID	CHEBI:166647

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H18O4

Net Charge

Average Mass

334.371

Monoisotopic Mass

334.12051

InChI

InChI=1S/C21H18O4/c1-21(2)7-6-12-8-15-16-11-23-18-9-13(22-3)4-5-14(18)20(16)24-19(15)10-17(12)25-21/h4-10H,11H2,1-3H3

InChIKey

SZUPCOMPPYQJSI-UHFFFAOYSA-N

SMILES

O1C(C=CC=2C1=CC=3OC4=C(C3C2)COC5=C4C=CC(OC)=C5)(C)C

ChEBI Ontology
Outgoing	3-O-Methylanhydrotuberosin (CHEBI:166647) is a pterocarpans (CHEBI:26377)

IUPAC Name

17-methoxy-7,7-dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,9,14(19),15,17-octaene