input word = C00054864

Metabolite InformationStructural formula
Name Cinnacasside E
Formula C25H38O11
Mw 514.24141206
CAS RN 1123179-65-6
C_ID C00054864
InChIKey TWFMZBIRBFJUKG-FBAQXWCXSA-N
InChICode InChI=1S/C25H38O11/c1-13(6-8-18(28)25(2,3)33)5-7-14-9-16(27)10-15(11-19(29)34-4)23(14)36-24-22(32)21(31)20(30)17(12-26)35-24/h5,9-10,17-18,20-22,24,26-28,30-33H,6-8,11-12H2,1-4H3/b13-5+/t17-,18+,20-,21+,22-,24+/m1/s1
SMILES COC(=O)Cc1cc(O)cc(C/C=C(C)CC[C@H](O)C(C)(C)O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLauraceaeCinnamomum cassia Ref.
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