input word = C00012225

Metabolite InformationStructural formula
Name Isorolandrolide
Formula C21H26O8
Mw 406.16276781
CAS RN 76010-19-0
C_ID C00012225 ,
InChIKey GDVYNDCBHXBMIJ-SOANIIOUNA-N
InChICode InChI=1S/C21H26O8/c1-11(2)19(24)28-16-7-12(3)6-14(27-13(4)23)8-21(5,26)9-17-18(16)15(10-22)20(25)29-17/h6,9,14,16,22,26H,1,7-8,10H2,2-5H3/b12-6+,17-9-/t14-,16-,21-/m0/s1
SMILES C=C(C)C(=O)O[C@H]1C/C(C)=C/[C@H](OC(C)=O)C[C@](C)(O)/C=C2OC(=O)C(CO)=C21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRolandra fruticosa Ref.
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