input word = C00050016

Metabolite InformationStructural formula
Name Cacospongionolide E
Formula C25H36O4
Mw 400.26135964
CAS RN 211304-16-4
C_ID C00050016 ,
InChIKey WBDQPITVPUAHAN-ZCFOCTLWNA-N
InChICode InChI=1S/C25H36O4/c1-16-6-5-7-21-24(16,3)12-10-17(2)25(21,4)13-11-18-8-9-20(28-15-18)19-14-22(26)29-23(19)27/h6,8,14,17,20-21,23,27H,5,7,9-13,15H2,1-4H3/t17-,20+,21-,23+,24-,25-/m0/s1
SMILES C1C=C([C@]2([C@H](C1)[C@]([C@H](CC2)C)(CCC1=CC[C@@H](OC1)C1=CC(=O)O[C@H]1O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Fasciospongia cavernosa Ref.
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