input word = C00012080

Metabolite InformationStructural formula
Name Cyclachaenin
Formula C25H34O4
Mw 398.24570957
CAS RN 73695-85-9
C_ID C00012080 ,
InChIKey GDQZFXWQGZEVMD-GGHFEZJRNA-N
InChICode InChI=1S/C25H34O4/c1-17(2)21-13-14-24(4)22(16-18(3)12-15-25(21,24)27)29-23(26)11-8-19-6-9-20(28-5)10-7-19/h6-11,16-17,21-22,27H,12-15H2,1-5H3/b11-8+/t21-,22-,24-,25+/m1/s1
SMILES COc1ccc(/C=C/C(=O)O[C@@H]2C=C(C)CC[C@]3(O)[C@@H](C(C)C)CC[C@]23C)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIva xanthifolia Ref.
PlantaeAsteraceaeIva xanthofolia Ref.
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