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Dihydroxyacidissiminol

Properties

Image

Occurences in reactions

MNX_ID

MNXM124946

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

formula

C₂₅H₃₃NO₅

charge

mass

427.23587

reference

chebi:175474

InChIKey

GDCAKUNBXRNADM-NBVRZTHBSA-N

InChI

InChI=1S/C25H33NO5/c1-18(22(27)17-23(28)25(2,3)30)14-16-31-21-11-9-19(10-12-21)13-15-26-24(29)20-7-5-4-6-8-20/h4-12,14,22-23,27-28,30H,13,15-17H2,1-3H3,(H,26,29)/b18-14+

SMILES

C/C(=C\COc1ccc(CCNC(=O)c2ccccc2)cc1)C(O)CC(O)C(C)(C)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175474 chebi:175474	Dihydroxyacidissiminol N-[2-[4-[(E)-4,6,7-trihydroxy-3,7-dimethyloct-2-enoxy]phenyl]ethyl]benzamide
hmdb:HMDB0040792	Dihydroxyacidissiminol N-[2-(4-{[(2E)-4,6,7-trihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}phenyl)ethyl]benzamide N-[2-(4-{[(2E)-4,6,7-trihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}phenyl)ethyl]benzenecarboximidate
hmdb:HMDB40792	secondary/obsolete/fantasy identifier