CHEBI:84416 - cleistanthin E

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ChEBI Name cleistanthin E
ChEBI ID CHEBI:84416
Definition A member of the class of cleistanthins that is cleistanthin C in which the hydroxy group at position 4 of the 2,3-di-O-methyl-β-D-xylopyranosyl moiety has been converted to the corresponding 2,3,5-tri-O-methyl-D-xylofuranoside.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C42H52O20
Net Charge 0
Average Mass 876.85030
Monoisotopic Mass 876.30519
InChI InChI=1S/C42H52O20/c1-47-15-27-35(50-4)38(53-7)42(59-27)60-28-16-55-41(37(52-6)36(28)51-5)62-34-26(13-43)58-40(32(45)31(34)44)61-33-20-12-24(49-3)23(48-2)11-19(20)29(30-21(33)14-54-39(30)46)18-8-9-22-25(10-18)57-17-56-22/h8-12,26-28,31-32,34-38,40-45H,13-17H2,1-7H3/t26-,27-,28-,31-,32-,34-,35+,36+,37-,38-,40+,41+,42+/m1/s1
InChIKey VBUYDYFOLFVYET-YSGUZRDFSA-N
SMILES COC[C@H]1O[C@@H](O[C@@H]2CO[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](Oc4c5COC(=O)c5c(-c5ccc6OCOc6c5)c5cc(OC)c(OC)cc45)[C@H](O)[C@H]3O)[C@H](OC)[C@H]2OC)[C@H](OC)[C@H]1OC
Metabolite of Species Details
Cleistanthus collinus (NCBI:txid1357584) Found in heartwood (PO:0004512). See: Tetrahedron, 1981, 37, 3641-3652
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via cleistanthins )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cleistanthin E (CHEBI:84416) has functional parent cleistanthin C (CHEBI:84408)
cleistanthin E (CHEBI:84416) is a cleistanthins (CHEBI:84406)
cleistanthin E (CHEBI:84416) is a trisaccharide derivative (CHEBI:63571)
IUPAC Name
9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl 2,3,5-tri-O-methyl-β-D-xylofuranosyl-(1→4)-2,3-di-O-methyl-β-D-xylopyranosyl-(1→4)-β-D-glucopyranoside
Registry Number Type Source
5224385 Reaxys Registry Number Reaxys
Last Modified
21 January 2015