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(2S)-versicolorone

Properties

Image

Occurences in reactions

MNX_ID

MNXM13256

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₀H₁₇O₈

charge

-1

mass

385.09289

reference

InChIKey

HORUZDQRRJSTED-SECBINFHSA-M

InChI

InChI=1S/C20H18O8/c1-8(22)2-3-9(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)CC[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:73281 chebi:73281	(2S)-versicolorone (2S)-versicolorone(1-) 4,5,7-trihydroxy-3-[(2S)-1-hydroxy-5-oxohexan-2-yl]-9,10-dioxo-9,10-dihydroanthracen-2-olate
CHEBI:72670 chebi:72670	(2S)-versicolorone(2-) 4,5-dihydroxy-3-[(2S)-1-hydroxy-5-oxohexan-2-yl]-9,10-dioxo-9,10-dihydroanthracene-2,7-diolate
CHEBI:72707 chebi:72707	(2S)-versicolorone (2S)-versicolorone anthraquinone form (2S)-versicolorone tricyclic form 1,3,6,8-tetrahydroxy-2-[(2S)-1-hydroxy-5-oxohexan-2-yl]-9,10-anthraquinone
seed.compound:cpd31147 seedM:cpd31147 kegg.compound:C20504 keggC:C20504	Versicolorone
CHEBI:71653 chebi:71653	versicolorone tricyclic form 1,3,6,8-tetrahydroxy-2-(1-hydroxy-5-oxohexan-2-yl)-9,10-anthraquinone versicolorone versicolorone anthraquinone form
metacyc.compound:CPD-10169 metacycM:CPD-10169 seed.compound:cpd22589 seedM:cpd22589	versicolorone 1,3,6,8-tetrahydroxy-2-[(2S)-1-hydroxy-5-oxohexan-2-yl]anthracene-5,10-dione
CHEBI:71635 chebi:71635	versicolorone 4,5,7-trihydroxy-3-(1-hydroxy-5-oxohexan-2-yl)-9,10-dioxo-9,10-dihydroanthracen-2-olate versicolorone tricyclic form(1-) versicolorone(1-)
keggC:M_C20504 seedM:M_cpd22589 seedM:M_cpd31147	secondary/obsolete/fantasy identifier