input word = C00022531

Metabolite InformationStructural formula
Name 19-Hydroxysecochiliolide acid methyl ester
Formula C21H28O6
Mw 376.18858863
CAS RN 102904-48-3
C_ID C00022531 ,
InChIKey TVMGRNMQXZMSKO-INQIXARQNA-N
InChICode InChI=1S/C21H28O6/c1-13(11-22)16-5-4-14(2)21(17(16)6-7-19(23)25-3)10-18(27-20(21)24)15-8-9-26-12-15/h8-9,12,14,17-18,22H,4-7,10-11H2,1-3H3/b16-13+/t14-,17+,18+,21-/m1/s1
SMILES COC(=O)CC[C@H]1/C(=C(C)CO)CC[C@@H](C)[C@]12C[C@@H](c1ccoc1)OC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNardophyllum lanatum Ref.
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