input word = C00023349

Metabolite InformationStructural formula
Name Rotundifuran
Formula C22H34O4
Mw 362.24570957
CAS RN 50656-73-0
C_ID C00023349 ,
InChIKey FWXSOZHEZZNUHJ-LKNCIJLQNA-N
InChICode InChI=1S/C22H34O4/c1-15-13-17(25-16(2)23)18-19(3,4)7-6-8-20(18,5)22(15)10-9-21(26-22)11-12-24-14-21/h11-12,15,17-18H,6-10,13-14H2,1-5H3/t15-,17-,18-,20+,21-,22-/m1/s1
SMILES CC(=O)O[C@@H]1C[C@@H](C)[C@]2(CC[C@]3(C=COC3)O2)[C@@]2(C)CCCC(C)(C)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeVitex trifolia L Ref.
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