input word = C00050353

Metabolite InformationStructural formula
Name Demethylfurospongin 4
Formula C25H34O5
Mw 414.2406242
CAS RN 192191-63-2
C_ID C00050353 ,
InChIKey PDLLQHLQXNHVGF-PPPKPQIRSA-N
InChICode InChI=1S/C25H34O5/c1-19(10-5-13-22-16-17-30-18-22)8-4-9-20(2)11-6-14-23(25(28)29)15-7-12-21(3)24(26)27/h9-10,12,14,16-18H,4-8,11,13,15H2,1-3H3,(H,26,27)(H,28,29)/b19-10+,20-9+,21-12+,23-14-
SMILES C/C(=CCC/C(C)=C/CCc1ccoc1)CC/C=C(/CC/C=C(C)C(=O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Spongia officinalis Ref.
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