input word = C00055041

Metabolite InformationStructural formula
Name Cinncassiol C2
Formula C20H28O6
Mw 364.18858863
CAS RN 73599-14-1
C_ID C00055041
InChIKey GUZTTZMSRBAQKX-IVSPXSSRSA-N
InChICode InChI=1S/C20H28O6/c1-10(2)12-8-13(21)16(4)9-19(25)17(12,5)15(23)20(26-19)14(22)11(3)6-7-18(16,20)24/h8,10-11,14,22,24-25H,6-7,9H2,1-5H3/t11-,14+,16+,17-,18-,19-,20-/m0/s1
SMILES C[C@@H]1[C@@H](O)[C@@]([C@]2(O)CC1)(C3=O)O[C@]4(O)[C@@]3(C)C(C(C)C)=CC([C@@]2(C)C4)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLauraceaeCinnamomum cassia Ref.
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