input word = C00055040

Metabolite InformationStructural formula
Name Cinncassiol C1
Formula C20H28O7
Mw 380.18350325
CAS RN 73613-35-1
C_ID C00055040
InChIKey BKRBOORGXGTRIL-QZIHVOCISA-N
InChICode InChI=1S/C20H28O7/c1-10-5-6-18(25)16(3)9-19(26)17(4,12(7-13(16)22)11(2)8-21)15(24)20(18,27-19)14(10)23/h7,10-11,14,21,23,25-26H,5-6,8-9H2,1-4H3/t10-,11-,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@@H](C)CO)=CC([C@@]2(C)C4)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLauraceaeCinnamomum cassia Ref.
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