input word = C00012110

Metabolite InformationStructural formula
Name Punctaliatrin
Punctatin
Punctatin
Formula C20H24O7
Mw 376.15220312
CAS RN 49776-54-7
C_ID C00012110 ,
InChIKey PJPPGFOTUNLSNL-QULZBJLSNA-N
InChICode InChI=1S/C20H24O7/c1-4-13(10-22)19(24)26-15-8-20(3)16(27-20)6-5-12(9-21)7-14-17(15)11(2)18(23)25-14/h4-7,14-17,21-22H,2,8-10H2,1,3H3/b6-5-,12-7+,13-4-/t14-,15-,16-,17+,20+/m1/s1
SMILES C\1=C\C(=C\[C@@H]2[C@@H]([C@@H](C[C@]3([C@@H]1O3)C)OC(=O)/C(=C\C)/CO)C(=C)C(=O)O2)\CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris punctata Ref.
zoom in