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 C1[C@@H](C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@H](CC2)[C@@H](C(=CC1=O)C=C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeOryza sativa Ref.
PlantaePoaceaeOryza sativa L. Ref.
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