input word = C00044517

Metabolite InformationStructural formula
Name Andavadoic acid
(+)-Andavadoic acid
Formula C23H36O4
Mw 376.26135964
CAS RN 538362-83-3
C_ID C00044517 ,
InChIKey LSOSWFXHGHKMMC-VVWGFWRPNA-N
InChICode InChI=1S/C23H36O4/c1-22(19-23(2,27-26-22)18-21(24)25)17-13-8-6-4-3-5-7-10-14-20-15-11-9-12-16-20/h9,11-12,15-16H,3-8,10,13-14,17-19H2,1-2H3,(H,24,25)/t22-,23-/m0/s1
SMILES C[C@]1(CCCCCCCCCCc2ccccc2)C[C@](C)(CC(=O)O)OO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaPlakinidaePlakortis aff. simplex Ref.
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