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(3S)-versiconol acetate

Properties

Image

Occurences in reactions

MNX_ID

MNXM9230

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₀H₁₇O₉

charge

-1

mass

401.08781

reference

chebi:72673

InChIKey

BWYUKBCRHDFWFF-SECBINFHSA-M

InChI

InChI=1S/C20H18O9/c1-8(22)29-3-2-9(7-21)15-14(25)6-12-17(19(15)27)20(28)16-11(18(12)26)4-10(23)5-13(16)24/h4-6,9,21,23-25,27H,2-3,7H2,1H3/p-1/t9-/m1/s1

SMILES

CC(=O)OCC[C@H](CO)c1c([O-])cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:72673 chebi:72673	(3S)-versiconol acetate (3S)-versiconol acetate(1-) 3-[(2S)-4-acetoxy-1-hydroxybutan-2-yl]-4,5,7-trihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-olate
CHEBI:72681 chebi:72681	(3S)-versiconol acetate (3S)-4-hydroxy-3-(1,3,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)butyl acetate
seed.compound:cpd22592 seedM:cpd22592	9,10-Anthracenedione, 2-(3-(acetyloxy)-1-(hydroxymethyl)propyl)-1,3,6,8-tetrahydroxy-, (-)- (3S)-4-hydroxy-3-[1,3,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl]butyl acetate 9,10-anthracenedione, 2-(3-(acetyloxy)-1-(hydroxymethyl)propyl)-1,3,6,8-tetrahydroxy-, (-)- versiconol acetate
seed.compound:cpd31149 seedM:cpd31149 kegg.compound:C20506 keggC:C20506	Versiconol acetate
metacyc.compound:CPD-10172 metacycM:CPD-10172	versiconol acetate (3S)-4-hydroxy-3-[1,3,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl]butyl acetate 9,10-anthracenedione, 2-(3-(acetyloxy)-1-(hydroxymethyl)propyl)-1,3,6,8-tetrahydroxy-, (-)-
CHEBI:71636 chebi:71636	versiconol acetate 3-(4-acetoxy-1-hydroxybutan-2-yl)-4,5,7-trihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-olate versiconol acetate(1-)
CHEBI:71657 chebi:71657	versiconol acetate 4-hydroxy-3-(1,3,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)butyl acetate
keggC:M_C20506 seedM:M_cpd22592 seedM:M_cpd31149	secondary/obsolete/fantasy identifier