input word = C00042474

Metabolite InformationStructural formula
Name dinor-Spiculoic acid A
(+)-dinor-Spiculoic acid A
Formula C25H32O3
Mw 380.23514489
CAS RN 852043-34-6
C_ID C00042474 ,
InChIKey IUHRGTBLTYEFAP-FBVNXXNYNA-N
InChICode InChI=1S/C25H32O3/c1-6-24(14-13-19-11-9-8-10-12-19)15-16(3)20-17(4)22(26)18(5)21(20)25(24,7-2)23(27)28/h8-15,17-18,20-21H,6-7H2,1-5H3,(H,27,28)/b14-13+/t17-,18-,20-,21-,24-,25-/m1/s1
SMILES [C@@]1(C=C([C@H]2[C@H]([C@]1(CC)C(=O)O)[C@H](C(=O)[C@@H]2C)C)C)(/C=C/c1ccccc1)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaPlakinidaePlakortis zyggompha Ref.
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