input word = C00020064

Metabolite InformationStructural formula
Name Isocalamendiol
Formula C15H26O2
Mw 238.19328007
CAS RN 25330-21-6
C_ID C00020064 ,
InChIKey AHNGXHRYFGQWSL-OUVVISSWNA-N
InChICode InChI=1S/C15H26O2/c1-10(2)12-7-8-14(4,16)13-6-5-11(3)9-15(12,13)17/h10,12-13,16-17H,3,5-9H2,1-2,4H3/t12-,13-,14-,15+/m0/s1
SMILES C=C1CC[C@@H]2[C@@](O)(C1)[C@H](C(C)C)CC[C@]2(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcoraceaeAcorus calamus Ref.
PlantaeApiaceaeDaucus carota Ref.
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