input word = C00059700

Metabolite InformationStructural formula
Name 2,2,4,6,6-Pentamethylheptane
Formula C12H26
Mw 170.20345083
CAS RN 13475-82-6
C_ID C00059700
InChIKey VKPSKYDESGTTFR-UHFFFAOYSA-N
InChICode InChI=1S/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3
SMILES CC(CC(C)(C)C)CC(C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeCapsella bursa-pastoris Ref.
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OrganismCapsella bursa-pastoris
Referencehttps://doi.org/10.13386/j.issn1002-0306.2015.15.033

https://doi.org/10.13982/j.mfst.1673-9078.2015.8.036