input word = C00046632

Metabolite InformationStructural formula
Name Calcaratarin B
(+)-Calcaratarin B
Formula C20H32O2
Mw 304.24023027
CAS RN 284022-06-6
C_ID C00046632 ,
InChIKey JSNVJPLVHIOLEM-IFQHFIQYNA-N
InChICode InChI=1S/C20H32O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h7,16-17H,2,6,8-13H2,1,3-5H3,(H,21,22)/b14-7-/t16-,17-,20-/m0/s1
SMILES C1(=C)CC[C@@H]2[C@]([C@H]1C/C=C(\CC(=O)O)/C)(CCCC2(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeAlpinia calcarata Ref.
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