input word = C00045739

Metabolite InformationStructural formula
Name Caudatoside E
(-)-Caudatoside E
Formula C26H32O14
Mw 568.17920573
CAS RN 477343-58-1
C_ID C00045739 ,
InChIKey NMIKDMFSQVDXPC-VAQWZAAKNA-N
InChICode InChI=1S/C26H32O14/c1-10-17-18(23(19(10)31)39-16(30)6-4-11-3-5-13(28)14(29)7-11)12(24(35)36-2)9-37-25(17)40-26-22(34)21(33)20(32)15(8-27)38-26/h3-7,9-10,15,17-23,25-29,31-34H,8H2,1-2H3/b6-4+/t10-,15+,17+,18+,19+,20+,21-,22+,23-,25-,26-/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@@H]1OC=C([C@@H]2[C@H]1[C@@H]([C@H]([C@H]2OC(=O)/C=C/c1ccc(c(c1)O)O)O)C)C(=O)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeCitharexylum caudatum Ref.
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OrganismCitharexylum caudatum
ReferenceAyers,J.Nat.Prod.,65,(2002),1621