input word = C00059309

Metabolite InformationStructural formula
Name Neosarmentol IV
Formula C13H22O3
Mw 226.15689457
CAS RN 1160937-79-0
C_ID C00059309
InChIKey YOLNBZGCJPNSBB-WXHSDQCUSA-N
InChICode InChI=1S/C13H22O3/c1-11(2)6-9(15)7-12(3)10(11)4-5-13(12,16)8-14/h10,14,16H,4-8H2,1-3H3/t10-,12+,13+/m1/s1
SMILES CC1(C)CC(=O)CC2(C)C1CCC2(O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSedum sarmentosum Ref.
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