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\1(=C/C[C@@H](/C(=C\[C@H]2[C@@H]([C@@H](C1)OC(=O)C(C)C)C(=C)C(=O)O2)/C)OC(=O)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePeucephyllum schottii Ref.
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OrganismPeucephyllum schottii
ReferenceBegley,Tetrahedron Lett.,(1975),1105