CHEBI:150859 - (4S,8R)-2,13,16,20-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1(12),2,5,10,13,16,19-heptaen-18-one

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (4S,8R)-2,13,16,20-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1(12),2,5,10,13,16,19-heptaen-18-one
ChEBI ID CHEBI:150859
ChEBI ASCII Name (4S,8R)-2,13,16,20-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.0(3,10).0(4,8).0(14,19)]icosa-1(12),2,5,10,13,16,19-heptaen-18-one
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C18H12O7
Net Charge 0
Average Mass 340.287
Monoisotopic Mass 340.05830
InChI InChI=1S/C18H12O7/c19-6-3-8-12(10(20)4-6)16(22)14-9(15(8)21)5-11-13(17(14)23)7-1-2-24-18(7)25-11/h1-2,4-5,7,18-19,21-23H,3H2/t7-,18+/m0/s1
InChIKey DWIQZFOGDHNQGC-ULCDLSAGSA-N
SMILES C1(C=C(CC=2C1=C(C=3C(=C4[C@@]5(C=CO[C@@]5(OC4=CC3C2O)[H])[H])O)O)O)=O
ChEBI Ontology
Outgoing (4S,8R)-2,13,16,20-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1(12),2,5,10,13,16,19-heptaen-18-one (CHEBI:150859) has functional parent versicolorin A (CHEBI:72676)
(4S,8R)-2,13,16,20-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1(12),2,5,10,13,16,19-heptaen-18-one (CHEBI:150859) is a cyclic acetal (CHEBI:59770)
(4S,8R)-2,13,16,20-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1(12),2,5,10,13,16,19-heptaen-18-one (CHEBI:150859) is a organic heteropentacyclic compound (CHEBI:38164)
(4S,8R)-2,13,16,20-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1(12),2,5,10,13,16,19-heptaen-18-one (CHEBI:150859) is a polyphenol (CHEBI:26195)
Synonym Source
(4S,8R)-2,13,16,20-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1(12),2,5,10,13,16,19-heptaen-18-one UniProt
Citation Waiting for Citations Type Source
26266881 PubMed citation SUBMITTER