input word = C00021709

Metabolite InformationStructural formula
Name 4-Dihydrotomentosin
Formula C15H22O3
Mw 250.15689457
CAS RN 68776-19-2
C_ID C00021709 ,
InChIKey KQEADOUDJYBGFC-MLSSTYETNA-N
InChICode InChI=1S/C15H22O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h6,9-10,13-14,16H,3-5,7-8H2,1-2H3/t9-,10+,13+,14+/m0/s1
SMILES C=C1C(=O)O[C@@H]2C[C@H](C)C(CCC(C)O)=CC[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula royleana Ref.
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