input word = C00046352

Metabolite InformationStructural formula
Name rel-(8R,9R)-Carrizaloic acid
Formula C18H22O5
Mw 318.14672381
CAS RN 367942-58-3
C_ID C00046352 ,
InChIKey VWTHQOHALJUZPE-SHTGXJIWNA-N
InChICode InChI=1S/C18H22O5/c1-17(2)14(18(3,22)8-7-15(17)19)10-12-9-11(16(20)21)5-6-13(12)23-4/h5-9,14,22H,10H2,1-4H3,(H,20,21)/t14-,18-/m1/s1
SMILES COc1ccc(C(=O)O)cc1C[C@@H]1C(C)(C)C(=O)C=C[C@@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeHeliotropium huascoense Ref.
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