input word = C00011789

Metabolite InformationStructural formula
Name Peucephyllin
Formula C21H28O6
Mw 376.18858863
CAS RN 56775-13-4
C_ID C00011789 ,
InChIKey OPPJRRHVTZBWTQ-GYNPGQJFNA-N
InChICode InChI=1S/C21H28O6/c1-11(2)20(23)26-17-9-12(3)7-8-16(25-15(6)22)13(4)10-18-19(17)14(5)21(24)27-18/h7,10-11,16-19H,5,8-9H2,1-4,6H3/b12-7+,13-10-/t16-,17+,18-,19+/m0/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(/C)C(OC(C)=O)C/C=C(C)C[C@@H](OC(=O)C(C)C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePeucephyllum schottii Ref.
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