input word = C00023472

Metabolite InformationStructural formula
Name Gutierolide
Formula C21H31ClO5
Mw 398.18600181
CAS RN 35020-26-9
C_ID C00023472 ,
InChIKey NAYPHLPWUYNNEZ-ZQYUNGECNA-N
InChICode InChI=1S/C21H31ClO5/c1-13-6-9-20-15(19(13,2)8-7-14-10-17(23)26-11-14)4-5-16(22)21(20,24)12-27-18(20)25-3/h10,13,15-16,18,24H,4-9,11-12H2,1-3H3/t13-,15-,16+,18-,19+,20+,21-/m0/s1
SMILES C1[C@H]([C@@]2([C@]3([C@@H](C1)[C@@]([C@H](CC3)C)(CCC1=CC(=O)OC1)C)[C@H](OC2)OC)O)Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGutierrezia dracunculoides Ref.
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