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=C1C(=O)O[C@@H]2/C=C(CO)C=C/[C@H]3O[C@@]3(C)C[C@@H](OC(=O)/C(=CC)CO)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris punctata Ref.
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