input word = C00012919

Metabolite InformationStructural formula
Name 5-Deoxy-5-hydroperoxy-5-epitelekin
[3aR-(3aalpha,4abeta,8abeta,9aalpha)]-Decahydro-4a-hydroperoxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one
Formula C15H20O4
Mw 264.13615913
CAS RN 89921-56-2
C_ID C00012919 ,
InChIKey QPXUPGOUAFWPOB-PQJGIFKXNA-N
InChICode InChI=1S/C15H20O4/c1-9-5-4-6-14(3)8-12-11(7-15(9,14)19-17)10(2)13(16)18-12/h11-12,17H,1-2,4-8H2,3H3/t11-,12-,14-,15+/m1/s1
SMILES C=C1C(=O)O[C@@H]2C[C@@]3(C)CCCC(=C)[C@@]3(OO)C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea szyszylowiczii Ref.
zoom in