input word = C00022258

Metabolite InformationStructural formula
Name Scapanin A
Formula C20H30O4
Mw 334.21440945
CAS RN 37298-92-3
C_ID C00022258 ,
InChIKey DOQXTCHBKSIARN-GYHOYUBFNA-N
InChICode InChI=1S/C20H30O4/c1-7-12(2)15-14(22)16-18(5,24-15)10-11-20(23)17(3,4)9-8-13(21)19(16,20)6/h7,14,16,22-23H,1,8-11H2,2-6H3/b15-12-/t14-,16+,18-,19-,20-/m1/s1
SMILES C1CC([C@]2([C@](C1=O)([C@@H]1[C@@](CC2)(O/C(=C(/C)\C=C)/[C@H]1O)C)C)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScapaniaceaeScapania undulata Ref.
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