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(2S-3S)-versiconal hemiacetal

MNXM9228 is deprecated and here replaced by MNXM741463
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM741463 Image of MNXM741463
referencechebi:77950
formulaC18H13O8
global charge-1
mol weight357.294
InChIKeyCMMJVRKBQZHKPV-VIIUKITBSA-M
InChIInChI=1S/C18H14O8/c19-2-1-7-13-11(26-18(7)25)5-9-14(17(13)24)16(23)12-8(15(9)22)3-6(20)4-10(12)21/h3-5,7,18-21,24-25H,1-2H2/p-1/t7-,18-/m0/s1
SMILESO=C1C2=CC3=C(C(O)=C2C(=O)C2=C1C=C([O-])C=C2O)[C@H](CCO)[C@@H](O)O3
MNX internals
InChI (mnx)InChI=1/C18H14O8/c19-2-1-7-13-11(26-18(7)25)5-9-14(17(13)24)16(23)12-8(15(9)22)3-6(20)4-10(12)21/h3-5,7,18-21,24-25H,1-2H2/t7-,18-/m0/s1 Image of MNXM741463
SMILES (mnx)[CH2:1]([CH2:2][OH:19])[C@H:7]1[C:13]2=[C:11]([CH:5]=[C:9]3[C:14](=[C:17]2[OH:24])[C:16](=[O:23])[C:12]2=[C:8]([CH:3]=[C:6]([OH:20])[CH:4]=[C:10]2[OH:21])[C:15]3=[O:22])[O:26][C@@H:18]1[OH:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77950
chebi:77950
CMMJVRKBQZHKPV-VIIUKITBSA-M 		(2S-3S)-versiconal hemiacetal
(2S-3S)-2,4,6-trihydroxy-3-(2-hydroxyethyl)-5,10-dioxo-2,3,5,10-tetrahydroanthra[2,3-b]furan-8-olate
(2S-3S)-versiconal hemiacetal(1-)

CHEBI:72672
chebi:72672
CMMJVRKBQZHKPV-VIIUKITBSA-N 		(2S-3S)-versiconal hemiacetal
(2S-3S)-2,4,6,8-tetrahydroxy-3-(2-hydroxyethyl)-2,3-dihydroanthra[2,3-b]furan-5,10-dione

seed.compound:cpd31150
seedM:cpd31150
kegg.compound:C20507
keggC:C20507
CMMJVRKBQZHKPV-VIIUKITBSA-N 		Versiconal

CHEBI:71638
chebi:71638
CMMJVRKBQZHKPV-UHFFFAOYSA-N 		versiconal hemiacetal
2,4,6,8-tetrahydroxy-3-(2-hydroxyethyl)-2,3-dihydroanthra[2,3-b]furan-5,10-dione
versiconal anthrafuran form
versiconal hemiacetal form

metacyc.compound:CPD-10171
metacycM:CPD-10171
seed.compound:cpd22591
seedM:cpd22591
CMMJVRKBQZHKPV-UHFFFAOYSA-N 		versiconal
(2S,3S)-2,4,6,8-tetrahydroxy-3-(2-hydroxyethyl)anthra[2,3-b]furan-5,10-dione

keggC:M_C20507
seedM:M_cpd22591
seedM:M_cpd31150 		secondary/obsolete/fantasy identifier