input word = C00057155

Metabolite InformationStructural formula
Name Secoeremopetasitolide A
Formula C19H26O7
Mw 366.16785319
CAS RN 178402-70-5
C_ID C00057155
InChIKey JNKNAUQBPPWDQQ-HBAXVLCVSA-N
InChICode InChI=1S/C19H26O7/c1-6-9(2)16(22)25-15(14-10(3)17(23)26-18(14)24)19(5)11(4)12(20)7-8-13(19)21/h6,11-12,15,17,20,23H,7-8H2,1-5H3/b9-6-/t11-,12-,15+,17+,19+/m0/s1
SMILES C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@H](O)OC1=O)[C@@]1(C)C(=O)CC[C@H](O)[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites japonicus Ref.
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