input word = C00055019

Metabolite InformationStructural formula
Name Cinnacaside
Formula C26H40O12
Mw 544.25197674
CAS RN 1194544-95-0
C_ID C00055019
InChIKey CPAGSUNLIDWNFJ-MOIZWSIVSA-N
InChICode InChI=1S/C26H40O12/c1-11-5-6-23(32)22(4)8-16(28)38-20(11)26(23,35)25(34)13(3)14(7-24(22,25)33)12(2)10-36-21-19(31)18(30)17(29)15(9-27)37-21/h11-12,15,17-21,27,29-35H,5-10H2,1-4H3/t11-,12+,15+,17+,18-,19+,20+,21+,22-,23-,24+,25+,26+/m0/s1
SMILES CC1=C([C@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@]2(O)[C@@]3(C)CC(=O)O[C@@H]4[C@@H](C)CC[C@@]3(O)[C@@]4(O)[C@@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLauraceaeCinnamomum cassia Ref.
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