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(2S,3S)-versiconal hemiacetal acetate

MNXM9229 is deprecated and here replaced by MNXM741466
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM741466 Image of MNXM741466
referencechebi:77975
formulaC20H15O9
global charge-1
mol weight399.331
InChIKeyDYJNRRXQVSJBAA-LXGOIASLSA-M
InChIInChI=1S/C20H16O9/c1-7(21)28-3-2-9-15-13(29-20(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)OCC[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/C20H16O9/c1-7(21)28-3-2-9-15-13(29-20(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 MNXM741466
SMILES (mnx)[CH3:1][C:7](=[O:21])[O:28][CH2:3][CH2:2][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:29][C@@H:20]1[OH:27]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77975
chebi:77975
DYJNRRXQVSJBAA-LXGOIASLSA-M 		(2S,3S)-versiconal hemiacetal acetate
(2S,3S)-versiconal hemiacetal acetate(1-)
(2S-3S)-3-(2-acetoxyethyl)-2,4,6-trihydroxy-5,10-dioxo-2,3,5,10-tetrahydroanthra[2,3-b]furan-8-olate

CHEBI:72671
chebi:72671
DYJNRRXQVSJBAA-LXGOIASLSA-N 		(2S,3S)-versiconal hemiacetal acetate
2-[(2S,3S)-2,4,6,8-tetrahydroxy-5,10-dioxo-2,3,5,10-tetrahydroanthra[2,3-b]furan-3-yl]ethyl acetate

seed.compound:cpd22590
seedM:cpd22590
DYJNRRXQVSJBAA-UHFFFAOYSA-N 		3-(2-(acetyloxy)ethyl)-2,3-dihydro-2,4,6,8-tetrahydroxyanthra(2,3-b)furan-5,10-dione
2-[(2S,3S)-2,4,6,8-tetrahydroxy-5,10-dioxo-5,10-dihydroanthra[2,3-b]furan-3-yl]ethyl acetate
anthra(2,3-b)furan-5,10-dione, 3-(2-(acetyloxy)ethyl)-2,3-dihydro-2,4,6,8-tetrahydroxy-
versiconal hemiacetal acetate

seed.compound:cpd31148
seedM:cpd31148
kegg.compound:C20505
keggC:C20505
DYJNRRXQVSJBAA-LXGOIASLSA-N 		Versiconal hemiacetal acetate

CHEBI:71637
chebi:71637
DYJNRRXQVSJBAA-UHFFFAOYSA-N 		versiconal hemiacetal acetate
2-(2,4,6,8-tetrahydroxy-5,10-dioxo-2,3,5,10-tetrahydroanthra[2,3-b]furan-3-yl)ethyl acetate
3-(2-(Acetyloxy)ethyl)-2,3-dihydro-2,4,6,8-tetrahydroxyanthra(2,3-b)furan-5,10-dione

metacyc.compound:CPD-10170
metacycM:CPD-10170
DYJNRRXQVSJBAA-UHFFFAOYSA-M 		versiconal hemiacetal acetate
2-[(2S,3S)-2,4,6,8-tetrahydroxy-5,10-dioxo-5,10-dihydroanthra[2,3-b]furan-3-yl]ethyl acetate
3-(2-(acetyloxy)ethyl)-2,3-dihydro-2,4,6,8-tetrahydroxyanthra(2,3-b)furan-5,10-dione

keggC:M_C20505
seedM:M_cpd22590
seedM:M_cpd31148 		secondary/obsolete/fantasy identifier