input word = C00046880

Metabolite InformationStructural formula
Name Rosololactone
Formula C20H30O3
Mw 318.21949482
CAS RN 4701-80-8
C_ID C00046880 ,
InChIKey SENSIMJVWLUBIY-QZMNRILINA-N
InChICode InChI=1S/C20H30O3/c1-5-17(2)9-10-19(4)13(12-17)11-14(21)15-18(3)7-6-8-20(15,19)23-16(18)22/h5,13-15,21H,1,6-12H2,2-4H3/t13-,14-,15+,17-,18+,19-,20-/m1/s1
SMILES C=C[C@]1(C)CC[C@]2(C)[C@H](C[C@@H](O)[C@H]3[C@]4(C)CCC[C@@]32OC4=O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHolarrhena floribunda Ref.
zoom in