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Dihydrokalafungin dihydroquinone form

Properties

Image

Occurences in reactions

MNX_ID

MNXM722966

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₁₆H₁₆O₆

charge

mass

304.09469

reference

InChIKey

GBBQTBKHHWHZSJ-SFYZADRCSA-N

InChI

InChI=1S/C16H16O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17,20-21H,5-6H2,1H3,(H,18,19)/t7-,8+/m1/s1

SMILES

C[C@H]1O[C@H](CC(=O)O)Cc2c1c(O)c1c(O)cccc1c2O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:81706 chebi:81706 kegg.compound:C18360 keggC:C18360	Dihydrokalafungin dihydroquinone form DHKred
metacyc.compound:CPD-19413 metacycM:CPD-19413	22-[(1R,3S)-5,9,10-trihydroxy-1-methyl-1H,3H,4H-naphtho[2,3-c]pyran-3-yl]acetate
seed.compound:cpd19625 seedM:cpd19625	Dihydrokalafungin dihydroquinone form 22-[(1R,3S)-5,9,10-trihydroxy-1-methyl-1H,3H,4H-naphtho[2,3-c]pyran-3-yl]acetate DHKred
keggC:M_C18360 seedM:M_cpd19625	secondary/obsolete/fantasy identifier