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@H]12[C@@H]([C@@H](C[C@H]1C)O)[C@]1(OC([C@@H](C2)[C@H](C1)O)(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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