input word = C00035146

Metabolite InformationStructural formula
Name Phytocassane A
(-)-Phytocassane A
Formula C20H28O3
Mw 316.20384476
CAS RN 166547-21-3
C_ID C00035146 ,
InChIKey XVEOIKIXOSKAFL-WULGODJVNA-N
InChICode InChI=1S/C20H28O3/c1-6-12-9-14(21)17-13(11(12)2)7-8-16-19(3,4)18(23)15(22)10-20(16,17)5/h6,9,11,13,15-17,22H,1,7-8,10H2,2-5H3/t11-,13-,15-,16-,17+,20-/m1/s1
SMILES [C@@H]1(C(=O)C([C@@H]2[C@@](C1)([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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