input word = C00003471

Metabolite InformationStructural formula
Name Plaunol B
Formula C20H20O6
Mw 356.12598837
CAS RN 69749-00-4
C_ID C00003471 ,
InChIKey GQRWYOWPTLFVDK-OEODHBFCNA-N
InChICode InChI=1S/C20H20O6/c1-11-7-16-20(10-21)13(17(22)26-16)3-2-4-15(20)19(11)8-14(25-18(19)23)12-5-6-24-9-12/h3,5-6,9,14-16,21H,1-2,4,7-8,10H2/t14-,15+,16+,19+,20-/m0/s1
SMILES C=C1C[C@H]2OC(=O)C3=CCC[C@H]([C@@]14C[C@@H](c1ccoc1)OC4=O)[C@]32CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton sublyratus Ref.
zoom in