input word = C00036668

Metabolite InformationStructural formula
Name 9,11alpha,14alpha-Triacetoxymarsupellone
Formula C21H28O7
Mw 392.18350325
CAS RN 151593-31-6
C_ID C00036668 ,
InChIKey NVUZWRHJRQRZDK-UHFFFAOYNA-N
InChICode InChI=1S/C21H28O7/c1-11-17(25)6-16-19-18(11)21(16,10-27-13(3)23)8-15(28-14(4)24)7-20(19,5)9-26-12(2)22/h15-16,18-19H,1,6-10H2,2-5H3/t15-,16+,18-,19+,20-,21+/m1/s1
SMILES C1(=O)C(=C)[C@H]2[C@]3([C@H]([C@@H]2[C@](C[C@H](C3)OC(=O)C)(COC(=O)C)C)C1)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGymnomitriaceaeMarsupella emarginata Ref.
zoom in