CHEBI:150860 - (4S,8R,16R)-2,13,16,20-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1(12),2,5,10,13,19-hexaen-18-one

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ChEBI Name (4S,8R,16R)-2,13,16,20-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1(12),2,5,10,13,19-hexaen-18-one
ChEBI ID CHEBI:150860
ChEBI ASCII Name (4S,8R,16R)-2,13,16,20-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.0(3,10).0(4,8).0(14,19)]icosa-1(12),2,5,10,13,19-hexaen-18-one
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C18H14O7
Net Charge 0
Average Mass 342.303
Monoisotopic Mass 342.07395
InChI InChI=1S/C18H14O7/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/h1-2,5-7,18-19,21-23H,3-4H2/t6-,7+,18-/m1/s1
InChIKey QATMRPSCQAYYCA-OIROLDLGSA-N
SMILES C1(C[C@@H](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,16R)-2,13,16,20-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1(12),2,5,10,13,19-hexaen-18-one (CHEBI:150860) has functional parent versicolorin A (CHEBI:72676)
(4S,8R,16R)-2,13,16,20-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1(12),2,5,10,13,19-hexaen-18-one (CHEBI:150860) is a cyclic acetal (CHEBI:59770)
(4S,8R,16R)-2,13,16,20-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1(12),2,5,10,13,19-hexaen-18-one (CHEBI:150860) is a organic heteropentacyclic compound (CHEBI:38164)
(4S,8R,16R)-2,13,16,20-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1(12),2,5,10,13,19-hexaen-18-one (CHEBI:150860) is a polyphenol (CHEBI:26195)
Synonyms Sources
(1'R,2'S,6R)-1,6,9,10-tetrahydroxy-2',5,6,7-tetrahydroanthra[3,2-b]furo[2',1'-d]furan-8(1'H)-one SUBMITTER
(4S,8R,16R)-2,13,16,20-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1(12),2,5,10,13,19-hexaen-18-one UniProt
Citation Waiting for Citations Type Source
26266881 PubMed citation SUBMITTER