input word = C00012125

Metabolite InformationStructural formula
Name Piptocarphin E
Formula C23H30O9
Mw 450.18898256
CAS RN 76215-52-6
C_ID C00012125 ,
InChIKey YJVDQTQJWOVXKP-VNMRIGJONA-N
InChICode InChI=1S/C23H30O9/c1-7-29-23-9-8-21(5,32-23)10-16-18(15(20(26)31-16)12-28-14(4)24)17(11-22(23,6)27)30-19(25)13(2)3/h10,17,27H,2,7-9,11-12H2,1,3-6H3/b16-10+/t17-,21-,22-,23+/m1/s1
SMILES C=C(C)C(=O)O[C@@H]1C[C@@](C)(O)[C@]2(OCC)CC[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePiptocarpha chontalensis Ref.
PlantaeAsteraceaeVernonia squamulosa Ref.
zoom in