input word = C00022272

Metabolite InformationStructural formula
Name 17-Hydroxyisolambertianic acid
Formula C20H28O4
Mw 332.19875938
CAS RN 78516-71-9
C_ID C00022272 ,
InChIKey ULGOGUNTFIHPHP-KABMEGLZNA-N
InChICode InChI=1S/C20H28O4/c1-19-9-3-10-20(2,18(22)23)17(19)7-5-15(12-21)16(19)6-4-14-8-11-24-13-14/h5,8,11,13,16-17,21H,3-4,6-7,9-10,12H2,1-2H3,(H,22,23)/t16-,17+,19+,20-/m0/s1
SMILES C1C[C@@]([C@H]2[C@](C1)([C@H](C(=CC2)CO)CCc1cocc1)C)(C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGutierrezia dracunculoides Ref.
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