input word = C00012812

Metabolite InformationStructural formula
Name Isointermedeol
Formula C15H26O
Mw 222.19836545
CAS RN 71963-78-5
C_ID C00012812 ,
InChIKey DPQYOKVMVCQHMY-UHFFFAOYNA-N
InChICode InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h12-13,16H,1,5-10H2,2-4H3/t12-,13-,14-,15+/m0/s1
SMILES C1[C@@]2([C@@H]([C@@](CC1)(O)C)C[C@H](CC2)C(=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLaggera alata var.alata Ref.
PlantaeAsteraceaePulicaria gnaphalodes Ref.
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaePoaceaeCymbopogon flexuosus Ref.
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