input word = C00040827

Metabolite InformationStructural formula
Name 4,5-Epoxy-13-hydroxy-beta-caryophyllene
Formula C14H22O2
Mw 222.16197995
CAS RN 220925-08-6
C_ID C00040827 ,
InChIKey QQWGIEIZUTVCBB-JQXIRTQVNA-N
InChICode InChI=1S/C14H22O2/c1-9-6-12-14(3,16-12)5-4-11-10(9)7-13(11,2)8-15/h10-12,15H,1,4-8H2,2-3H3/t10-,11-,12-,13-,14-/m1/s1
SMILES C=C1C[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePterocaulon serrulatum Ref.
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