input word = C00020421

Metabolite InformationStructural formula
Name Kessoglycol
3beta,6alpha-Dihydroxykessane
Formula C15H26O3
Mw 254.1881947
CAS RN 6894-57-1
C_ID C00020421 ,
InChIKey HMTVXYYWICMXMY-QNMVCQMZNA-N
InChICode InChI=1S/C15H26O3/c1-8-5-11(16)13-9(8)6-10-12(17)7-15(13,4)18-14(10,2)3/h8-13,16-17H,5-7H2,1-4H3/t8-,9-,10+,11-,12+,13+,15+/m1/s1
SMILES C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1CC1[C@@H](O)C[C@]2(C)OC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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