input word = C00034141

Metabolite InformationStructural formula
Name Phytocassane B
Formula C20H30O4
Mw 334.21440945
CAS RN 166547-22-4
C_ID C00034141 ,
InChIKey XFRCVLKGZMPUFQ-AXUUBVOGNA-N
InChICode InChI=1S/C20H30O4/c1-6-11-9-13(21)15-12(10(11)2)7-8-14-19(3,4)17(23)16(22)18(24)20(14,15)5/h6,9-10,12,14-18,22-24H,1,7-8H2,2-5H3/t10-,12+,14+,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@@H](O)[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.
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OrganismOryza sativa
ReferenceShimizu,Phytochem.,69,(2008),973