input word = C00054865

Metabolite InformationStructural formula
Name Cinnacasside A
Formula C25H36O11
Mw 512.22576199
CAS RN 1123179-36-1
C_ID C00054865
InChIKey CWNBWXAITUWZFQ-IVEHAFNCSA-N
InChICode InChI=1S/C25H36O11/c1-24(2,32)17-6-8-25(3,36-17)7-5-13-9-15(27)10-14(11-18(28)33-4)22(13)35-23-21(31)20(30)19(29)16(12-26)34-23/h5,7,9-10,16-17,19-21,23,26-27,29-32H,6,8,11-12H2,1-4H3/b7-5+/t16-,17+,19-,20+,21-,23+,25-/m1/s1
SMILES O=C(OC)CC1=CC(O)=CC(/C=C/[C@]2(C)CC[C@@H](C(C)(O)C)O2)=C1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLauraceaeCinnamomum cassia Ref.
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