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 O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC2=C(OC)C=C(/C=C/CO)C=C2[C@@H](CO)CC3=CC(OC)=C(O)C=C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum var. acuminatum Ref.
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