input word = C00022261

Metabolite InformationStructural formula
Name Scapanin B
Formula C20H32O4
Mw 336.23005951
CAS RN 88036-90-2
C_ID C00022261 ,
InChIKey WHAGUQAWPZMLNV-COLORHDJNA-N
InChICode InChI=1S/C20H32O4/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,8-11H2,1-6H3/b12-7+/t14-,15-,16+,18-,19-,20-/m1/s1
SMILES C1CC([C@]2([C@](C1=O)([C@@H]1[C@@](CC2)(O[C@@H]([C@H]1O)/C(=C/C)/C)C)C)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScapaniaceaeScapania undulata Ref.
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