input word = C00059306

Metabolite InformationStructural formula
Name Neosarmentol I
Formula C13H20O3
Mw 224.1412445
CAS RN 1160937-76-7
C_ID C00059306
InChIKey JURHHIQKQHXSON-AAEUAGOBSA-N
InChICode InChI=1S/C13H20O3/c1-12(2)7-10(15)5-9-6-13(16,8-14)4-3-11(9)12/h5,11,14,16H,3-4,6-8H2,1-2H3/t11-,13-/m0/s1
SMILES CC1(C)CC(=O)C=C2CC(O)(CO)CCC21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSedum sarmentosum Ref.
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