CHEBI:72673 - (3S)-versiconol acetate(1−)

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ChEBI Name (3S)-versiconol acetate(1−)
ChEBI ID CHEBI:72673
ChEBI ASCII Name (3S)-versiconol acetate(1-)
Definition An optically active form of versiconol acetate(1−) having 3S-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C20H17O9
Net Charge -1
Average Mass 401.34360
Monoisotopic Mass 401.08781
InChI InChI=1S/C20H18O9/c1-8(22)29-3-2-9(7-21)15-14(25)6-12-17(19(15)27)20(28)16-11(18(12)26)4-10(23)5-13(16)24/h4-6,9,21,23-25,27H,2-3,7H2,1H3/p-1/t9-/m1/s1
InChIKey BWYUKBCRHDFWFF-SECBINFHSA-M
SMILES CC(=O)OCC[C@H](CO)c1c([O-])cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O
ChEBI Ontology
Outgoing (3S)-versiconol acetate(1−) (CHEBI:72673) is a versiconol acetate(1−) (CHEBI:71636)
IUPAC Name
3-[(2S)-4-acetoxy-1-hydroxybutan-2-yl]-4,5,7-trihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-olate
Synonym Source
(3S)-versiconol acetate UniProt
Last Modified
04 March 2013