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1'-hydroxyversicolorone

PropertiesImage
MNX_IDMNXM105643 Image of MNXM105643
referencechebi:77907
formulaC20H15O8
global charge-1
mol weight383.332
InChIKeyJGXCLZAVTLWCBF-LXGOIASLSA-M
InChIInChI=1S/C20H16O8/c1-7(21)2-3-9-15-13(28-20(9)27)6-11-16(19(15)26)18(25)14-10(17(11)24)4-8(22)5-12(14)23/h4-6,9,20,22-23,26-27H,2-3H2,1H3/p-1/t9-,20-/m0/s1
SMILESCC(=O)CC[C@H]1C2=C(C=C3C(=O)C4=C(C(=O)C3=C2O)C(O)=CC([O-])=C4)O[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C20H16O8/c1-7(21)2-3-9-15-13(28-20(9)27)6-11-16(19(15)26)18(25)14-10(17(11)24)4-8(22)5-12(14)23/h4-6,9,20,22-23,26-27H,2-3H2,1H3/t9-,20-/m0/s1 Image of MNXM105643
SMILES (mnx)[CH3:1][C:7]([CH2:2][CH2:3][C@H:9]1[C:15]2=[C:13]([CH:6]=[C:11]3[C:16](=[C:19]2[OH:26])[C:18](=[O:25])[C:14]2=[C:10]([CH:4]=[C:8]([OH:22])[CH:5]=[C:12]2[OH:23])[C:17]3=[O:24])[O:28][C@@H:20]1[OH:27])=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77907
chebi:77907
JGXCLZAVTLWCBF-LXGOIASLSA-M 		1'-hydroxyversicolorone
(2S,3S)-2,4,6-trihydroxy-5,10-dioxo-3-(3-oxobutyl)-2,3,5,10-tetrahydroanthra[2,3-b]furan-8-olate
hydroxyversicolorone(1-)

seed.compound:cpd31146
seedM:cpd31146
kegg.compound:C20503
keggC:C20503
JGXCLZAVTLWCBF-LXGOIASLSA-N 		1'-Hydroxyversicolorone
Hydroxyversicolorone

metacyc.compound:CPD-10168
metacycM:CPD-10168
seed.compound:cpd22588
seedM:cpd22588
JGXCLZAVTLWCBF-UHFFFAOYSA-M
JGXCLZAVTLWCBF-UHFFFAOYSA-N 		hydroxyversicolorone

CHEBI:71634
chebi:71634
JGXCLZAVTLWCBF-LXGOIASLSA-N 		hydroxyversicolorone
(2S,3S)-2,4,6,8-tetrahydroxy-3-(3-oxobutyl)-2,3-dihydroanthra[2,3-b]furan-5,10-dione
1'-hydroxyversicolorone

keggC:M_C20503
seedM:M_cpd22588
seedM:M_cpd31146 		secondary/obsolete/fantasy identifier