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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

ChEBI IDCHEBI:150859
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
Stars
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
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC18H12O7
Net Charge0
Average Mass340.287
Monoisotopic Mass340.05830
SMILES[H][C@]12OC=C[C@@]1([H])c1c(cc3c(O)c4c(c(O)c3c1O)C(=O)C=C(O)C4)O2
InChIInChI=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
InChIKeyDWIQZFOGDHNQGC-ULCDLSAGSA-N
ChEBI Ontology
Outgoing Relation(s)
(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)
UniProt Name  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-oneUniProt
Citations