input word = C00048574

Metabolite InformationStructural formula
Name (-)-Isishippuric acid A
Formula C15H24O3
Mw 252.17254463
CAS RN 761439-89-8
C_ID C00048574 ,
InChIKey FWJHPJLAZBLMHA-BXFZTLKKNA-N
InChICode InChI=1S/C15H24O3/c1-9-5-6-11-12(7-13(17)18)15(9,10(2)16)8-14(11,3)4/h9,11-12H,5-8H2,1-4H3,(H,17,18)/t9-,11-,12-,15+/m1/s1
SMILES [C@@H]12C(C[C@@]([C@@H](CC1)C)([C@@H]2CC(=O)O)C(=O)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Isis hippuris Ref.
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