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=C(/C)C(=O)O[C@H](C1=C(C)[C@H](O)OC1=O)[C@@]1(C)[C@H](C)[C@H]2CC[C@@H]1[C@H](OC)O2
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)