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Austrobailignan 7

Properties

Image

Occurences in reactions

MNX_ID

MNXM119536

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₀H₂₂O₅

charge

mass

342.14672

reference

InChIKey

JPDORDSJPIKURD-UAFHBQARSA-N

InChI

InChI=1S/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3/t11-,12-,19+,20-/m0/s1

SMILES

COc1cc([C@@H]2O[C@H](c3ccc4c(c3)OCO4)[C@@H](C)[C@@H]2C)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175347 chebi:175347	Austrobailignan 7 4-[(2R,3S,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
hmdb:HMDB0030859	Austrobailignan 7 4-[5-(2H-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
hmdb:HMDB30859	secondary/obsolete/fantasy identifier