input word = C00023297

Metabolite InformationStructural formula
Name Havardic acid A
Formula C20H32O4
Mw 336.23005951
CAS RN 108657-46-1
C_ID C00023297 ,
InChIKey OBXWSWFYVFDJJH-OOJAJXNENA-N
InChICode InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(18(23)24)7-9-16-19(2,3)10-5-11-20(15,16)4/h7,13,15-16H,5-6,8-12H2,1-4H3,(H,21,22)(H,23,24)/t13-,15+,16+,20+/m1/s1
SMILES C[C@H](CC[C@H]1C(C(=O)O)=CC[C@H]2C(C)(C)CCC[C@]12C)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrindelia havardii Ref.
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