input word = C00057156

Metabolite InformationStructural formula
Name Secoeremopetasitolide B
Formula C21H30O7
Mw 394.19915331
CAS RN 178402-71-6
C_ID C00057156
InChIKey YEMKZDPASIYASW-VLHHIIFTSA-N
InChICode InChI=1S/C21H30O7/c1-7-10(2)17(22)27-16(15-11(3)18(23)28-19(15)24)21(5)12(4)14-9-8-13(21)20(25-6)26-14/h7,12-14,16,18,20,23H,8-9H2,1-6H3/b10-7-/t12-,13-,14-,16-,18-,20-,21+/m1/s1
SMILES C[C@@H]1[C@@H](CC2)O[C@@H](OC)[C@@H]2[C@@]1(C)[C@@H](C3=C(C)[C@H](O)OC3=O)OC(/C(C)=CC)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites japonicus Ref.
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OrganismPetasites japonicus
ReferenceYaoita, Y. et al., Phytochemistry, 1996, 42, 751 (isol, pmr, cmr)