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Chloromarmin

Properties

Image

Occurences in reactions

MNX_ID

MNXM120471

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

formula

C₁₉H₂₃ClO₄

charge

mass

350.12849

reference

InChIKey

LJKOFXGMGDOURN-JLHYYAGUSA-N

InChI

InChI=1S/C19H23ClO4/c1-13(4-8-17(21)19(2,3)20)10-11-23-15-7-5-14-6-9-18(22)24-16(14)12-15/h5-7,9-10,12,17,21H,4,8,11H2,1-3H3/b13-10+

SMILES

C/C(=C\COc1ccc2ccc(=O)oc2c1)CCC(O)C(C)(C)Cl

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0041414	Chloromarmin 7-{[(2E)-7-chloro-6-hydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-2H-chromen-2-one 7-{[(2E)-7-chloro-6-hydroxy-3,7-dimethyloct-2-en-1-yl]oxy}chromen-2-one
hmdb:HMDB41414	secondary/obsolete/fantasy identifier