input word = C00034142

Metabolite InformationStructural formula
Name Phytocassane C
Formula C20H30O3
Mw 318.21949482
CAS RN 166547-23-5
C_ID C00034142 ,
InChIKey YQESGDRIAQDEQE-HAEVUARXNA-N
InChICode InChI=1S/C20H30O3/c1-6-12-9-14(21)18-13(11(12)2)7-8-15-19(3,4)16(22)10-17(23)20(15,18)5/h6,9,11,13,15-18,22-23H,1,7-8,10H2,2-5H3/t11-,13+,15+,16+,17-,18-,20-/m1/s1
SMILES C=CC1=CC(=O)[C@H]2[C@@H](CC[C@H]3C(C)(C)[C@@H](O)C[C@@H](O)[C@]23C)[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeOryza sativa Ref.
PlantaePoaceaeOryza sativa L. Ref.
PlantaeTaxaceaeTaxus chinensis Ref.
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OrganismTaxus chinensis
ReferenceShao, F. et al., Sci. Rep., 9, (2019), 17647.