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CHEBI:72672 - (2S-3S)-versiconal hemiacetal

ChEBI IDCHEBI:72672
ChEBI Name(2S-3S)-versiconal hemiacetal
Stars
ASCII Name(2S-3S)-versiconal hemiacetal
DefinitionAn optically active form of versiconal hemiacetal having 2S,3S-configuration.
Last Modified25 June 2018
SubmitterKAX
DownloadsMolfile
FormulaC18H14O8
Net Charge0
Average Mass358.302
Monoisotopic Mass358.06887
SMILESO=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@H](CCO)[C@@H](O)O1
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/t7-,18-/m0/s1
InChIKeyCMMJVRKBQZHKPV-VIIUKITBSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(2S-3S)-versiconal hemiacetal (CHEBI:72672) is a versiconal hemiacetal (CHEBI:71638)
(2S-3S)-versiconal hemiacetal (CHEBI:72672) is conjugate acid of (2S-3S)-versiconal hemiacetal(1−) (CHEBI:77950)
Incoming Relation(s)
(2S-3S)-versiconal hemiacetal(1−) (CHEBI:77950) is conjugate base of (2S-3S)-versiconal hemiacetal (CHEBI:72672)
IUPAC Name 
(2S-3S)-2,4,6,8-tetrahydroxy-3-(2-hydroxyethyl)-2,3-dihydroanthra[2,3-b]furan-5,10-dione