input word = C00054286

Metabolite InformationStructural formula
Name 6',7'-Decylidenemarmin
Formula C29H42O5
Mw 470.30322445
CAS RN 1181223-78-8
C_ID C00054286
InChIKey COFMHXHAPDJJRN-NLGYFSFCSA-N
InChICode InChI=1S/C29H42O5/c1-5-6-7-8-9-10-11-12-28-33-26(29(3,4)34-28)17-13-22(2)19-20-31-24-16-14-23-15-18-27(30)32-25(23)21-24/h14-16,18-19,21,26,28H,5-13,17,20H2,1-4H3/b22-19+/t26-,28?/m1/s1
SMILES CCCCCCCCCC1O[C@H](CC/C(C)=C/COC2=CC=C(C=CC(O3)=O)C3=C2)C(C)(C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
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