input word = C00056763

Metabolite InformationStructural formula
Name Icariside E5
Formula C26H34O11
Mw 522.21011193
CAS RN 126176-79-2
C_ID C00056763
InChIKey UFFRBCKYXMEITK-ZANRTBCKSA-N
InChICode InChI=1S/C26H34O11/c1-34-19-10-15(5-6-18(19)30)8-16(12-28)17-9-14(4-3-7-27)11-20(35-2)25(17)37-26-24(33)23(32)22(31)21(13-29)36-26/h3-6,9-11,16,21-24,26-33H,7-8,12-13H2,1-2H3/b4-3+/t16-,21-,22-,23+,24-,26+/m1/s1
SMILES COc1cc(CC(CO)c2cc(/C=C/CO)cc(OC)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum var. acuminatum Ref.
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OrganismCapsicum annuum var. acuminatum
ReferenceMiyase, T. et al., Phytochemistry, 1989, 28, 3483-3485 (Icariside E5)