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(S)-versiconol

MNXM13257 is deprecated and here replaced by MNXM728067
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM728067 Image of MNXM728067
referencechebi:77947
formulaC18H15O8
global charge-1
mol weight359.31
InChIKeyZLIRCPWCWHTYNP-SSDOTTSWSA-M
InChIInChI=1S/C18H16O8/c19-2-1-7(6-20)13-12(23)5-10-15(17(13)25)18(26)14-9(16(10)24)3-8(21)4-11(14)22/h3-5,7,19-23,25H,1-2,6H2/p-1/t7-/m1/s1
SMILESO=C1C2=CC(O)=C([C@@H](CO)CCO)C(O)=C2C(=O)C2=C1C=C([O-])C=C2O
MNX internals
InChI (mnx)InChI=1/C18H16O8/c19-2-1-7(6-20)13-12(23)5-10-15(17(13)25)18(26)14-9(16(10)24)3-8(21)4-11(14)22/h3-5,7,19-23,25H,1-2,6H2/t7-/m1/s1 Image of MNXM728067
SMILES (mnx)[CH2:1]([CH2:2][OH:19])[C@H:7]([CH2:6][OH:20])[C:13]1=[C:12]([OH:23])[CH:5]=[C:10]2[C:15](=[C:17]1[OH:25])[C:18](=[O:26])[C:14]1=[C:9]([CH:3]=[C:8]([OH:21])[CH:4]=[C:11]1[OH:22])[C:16]2=[O:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77947
chebi:77947
ZLIRCPWCWHTYNP-SSDOTTSWSA-M 		(S)-versiconol
(S)-versiconol(1-)
6-[(2S)-1,4-dihydroxybutan-2-yl]-4,5,7-trihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-olate

CHEBI:71665
chebi:71665
ZLIRCPWCWHTYNP-SSDOTTSWSA-N 		(S)-versiconol
2-[(2S)-1,4-dihydroxybutan-2-yl]-1,3,6,8-tetrahydroxy-9,10-anthraquinone

seed.compound:cpd22593
seedM:cpd22593
ZLIRCPWCWHTYNP-UHFFFAOYSA-N 		9,10-anthracenedione, 1,3,6,8-tetrahydroxy-2-(3-hydroxy-1-(hydroxymethyl)propyl)-, (-)-
1,3,6,8-tetrahydroxy-3-[(2S)-1,4-dihydroxybutan-2-yl]anthracene-5,10-dione
versiconol

seed.compound:cpd31151
seedM:cpd31151
kegg.compound:C20508
keggC:C20508
ZLIRCPWCWHTYNP-SSDOTTSWSA-N 		Versiconol

metacyc.compound:CPD-10174
metacycM:CPD-10174
ZLIRCPWCWHTYNP-UHFFFAOYSA-M 		versiconol
1,3,6,8-tetrahydroxy-3-[(2S)-1,4-dihydroxybutan-2-yl]anthracene-5,10-dione

CHEBI:71639
chebi:71639
ZLIRCPWCWHTYNP-UHFFFAOYSA-N 		versiconol
2-(1,4-dihydroxybutan-2-yl)-1,3,6,8-tetrahydroxy-9,10-anthraquinone

keggC:M_C20508
seedM:M_cpd22593
seedM:M_cpd31151 		secondary/obsolete/fantasy identifier