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