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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S,3S)-versiconal hemiacetal acetate
ChEBI ID CHEBI:72671
ChEBI ASCII Name (2S,3S)-versiconal hemiacetal acetate
Definition An optically active form of versiconal hemiacetal acetate having 2S,3S-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C20H16O9
Net Charge 0
Average Mass 400.33560
Monoisotopic Mass 400.07943
InChI InChI=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
InChIKey DYJNRRXQVSJBAA-LXGOIASLSA-N
SMILES CC(=O)OCC[C@@H]1[C@@H](O)Oc2cc3C(=O)c4cc(O)cc(O)c4C(=O)c3c(O)c12
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via versiconal hemiacetal acetate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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
Last Modified
24 June 2014