input word = C00012894

Metabolite InformationStructural formula
Name 1beta-Hydroxyalantolactone
[3aR-(3aalpha,5beta,8beta,8abeta,9aalpha)]-3a,5,6,7,8,8a,9,9a-Octahydro-8-hydroxy-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Formula C15H20O3
Mw 248.1412445
CAS RN 68776-47-6
C_ID C00012894 ,
InChIKey FRNIMDDQCZHAFA-ZLIZNNCMNA-N
InChICode InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h6,8,10,12-13,16H,2,4-5,7H2,1,3H3/t8-,10+,12+,13+,15+/m0/s1
SMILES [C@H]1(C2=C[C@H]3[C@@H](C[C@]2([C@@H](CC1)O)C)OC(=O)C3=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula helenium Ref.
zoom in