input word = C00022362

Metabolite InformationStructural formula
Name 8alpha,12R-Epoxy-6beta,11alpha-dihydroxy-13E-labden-1-one
Formula C20H32O4
Mw 336.23005951
CAS RN 104189-09-5
C_ID C00022362 ,
InChIKey SORDASWZVRTIAH-FCRKNIEMNA-N
InChICode InChI=1S/C20H32O4/c1-7-11(2)15-14(23)17-19(5,24-15)10-12(21)16-18(3,4)9-8-13(22)20(16,17)6/h7,12,14-17,21,23H,8-10H2,1-6H3/b11-7+/t12-,14-,15-,16+,17+,19-,20+/m1/s1
SMILES C1CC([C@H]2[C@](C1=O)([C@@H]1[C@@](C[C@H]2O)(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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