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CHEBI:72671 - (2S,3S)-versiconal hemiacetal acetate

ChEBI IDCHEBI:72671
ChEBI Name(2S,3S)-versiconal hemiacetal acetate
Stars
ASCII Name(2S,3S)-versiconal hemiacetal acetate
DefinitionAn optically active form of versiconal hemiacetal acetate having 2S,3S-configuration.
Last Modified24 June 2014
SubmitterKAX
DownloadsMolfile
FormulaC20H16O9
Net Charge0
Average Mass400.339
Monoisotopic Mass400.07943
SMILESCC(=O)OCC[C@H]1c2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)O[C@@H]1O
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/t9-,20-/m0/s1
InChIKeyDYJNRRXQVSJBAA-LXGOIASLSA-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 acetate (CHEBI:72671) is a versiconal hemiacetal acetate (CHEBI:71637)
(2S,3S)-versiconal hemiacetal acetate (CHEBI:72671) is conjugate acid of (2S,3S)-versiconal hemiacetal acetate(1−) (CHEBI:77975)
Incoming Relation(s)
(2S,3S)-versiconal hemiacetal acetate(1−) (CHEBI:77975) is conjugate base of (2S,3S)-versiconal hemiacetal acetate (CHEBI:72671)
IUPAC Name 
2-[(2S,3S)-2,4,6,8-tetrahydroxy-5,10-dioxo-2,3,5,10-tetrahydroanthra[2,3-b]furan-3-yl]ethyl acetate