input word = C00034144

Metabolite InformationStructural formula
Name Phytocassane E
Phytocassane EL
Formula C20H28O3
Mw 316.20384476
CAS RN 181524-78-7
C_ID C00034144 ,
InChIKey MMRGGLJWHXYKLZ-RSXFPUBYNA-N
InChICode InChI=1S/C20H28O3/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/h6,9,11,13,15,17-18,23H,1,7-8,10H2,2-5H3/t11-,13-,15-,17+,18+,20+/m0/s1
SMILES C1C(=O)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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeOryza sativa Ref.
PlantaePoaceaeOryza sativa L. Ref.
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