input word = C00054016

Metabolite InformationStructural formula
Name Diferuloylspermine
Formula C30H42N4O6
Mw 554.3104351
CAS RN 70208-06-9
C_ID C00054016
InChIKey HWWSHCYJIPNNFA-UTLPMFLDSA-N
InChICode InChI=1S/C30H42N4O6/c1-39-27-21-23(7-11-25(27)35)9-13-29(37)33-19-5-17-31-15-3-4-16-32-18-6-20-34-30(38)14-10-24-8-12-26(36)28(22-24)40-2/h7-14,21-22,31-32,35-36H,3-6,15-20H2,1-2H3,(H,33,37)(H,34,38)/b13-9+,14-10+
SMILES COc1cc(/C=C/C(=O)NCCCNCCCCNCCCNC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBromeliaceaeAnanas comosus Ref.
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OrganismAnanas comosus
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 312B (ir)