input word = C00022359

Metabolite InformationStructural formula
Name 8alpha,12R-Epoxy-11alpha-hydroxy-13E-labden-1-one
Formula C20H32O3
Mw 320.23514489
CAS RN 104189-11-9
C_ID C00022359 ,
InChIKey GEZRVCVXNUNJDA-WCLUPZQLNA-N
InChICode InChI=1S/C20H32O3/c1-7-12(2)16-15(22)17-19(5,23-16)11-8-13-18(3,4)10-9-14(21)20(13,17)6/h7,13,15-17,22H,8-11H2,1-6H3/b12-7+/t13-,15+,16+,17-,19+,20+/m0/s1
SMILES C1CC([C@H]2[C@](C1=O)([C@@H]1[C@@](CC2)(O[C@@H]([C@H]1O)/C(=C/C)/C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScapaniaceaeScapania undulata Ref.
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