input word = C00053068

Metabolite InformationStructural formula
Name Blumenol C
Formula C13H22O2
Mw 210.16197995
CAS RN 36151-02-7
C_ID C00053068
InChIKey UEEJDIUOCUCVHN-PWSUYJOCSA-N
InChICode InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h7,10,12,14H,5-6,8H2,1-4H3/t10-,12+/m1/s1
SMILES CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona muricata Ref.
PlantaeAsparagaceaeAsparagus officinalis Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
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OrganismAnnona muricata
ReferenceZorofchian, S. et al., Int. J. Mol. Sci., 16, (2015), 15625-15658.