input word = C00045337

Metabolite InformationStructural formula
Name Luffarin R
Formula C25H34O5
Mw 414.2406242
CAS RN 145427-73-2
C_ID C00045337 ,
InChIKey VKOBTBGPXFPMMX-BOKSUSDJNA-N
InChICode InChI=1S/C25H34O5/c1-17(2)13-22-14-20(25(28)30-22)10-6-9-18(3)7-5-8-19(4)11-12-23(26)21-15-24(27)29-16-21/h7,10-11,13,15,22-23,26H,5-6,8-9,12,14,16H2,1-4H3/b18-7+,19-11+,20-10+/t22-,23-/m0/s1
SMILES O1[C@H](C/C(=C\CC/C(=C/CC/C(=C/C[C@H](O)C2=CC(=O)OC2)/C)/C)/C1=O)C=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Thorectandra sp. Ref.
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