input word = C00003355

Metabolite InformationStructural formula
Name Pseudoivalin
Formula C15H20O3
Mw 248.1412445
CAS RN 1461-34-3
C_ID C00003355 ,
InChIKey CLYBLORMANTURF-RHYMVJRONA-N
InChICode InChI=1S/C15H20O3/c1-8-6-13-11(9(2)14(16)18-13)7-12-10(8)4-5-15(12,3)17/h11-13,17H,2,4-7H2,1,3H3/t11-,12-,13-,15-/m1/s1
SMILES C12=C(C[C@@H]3[C@H](C[C@H]1[C@@](CC2)(O)C)C(=C)C(=O)O3)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalocephalus brownii Ref.
PlantaeAsteraceaeIva microcephala Ref.
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