input word = C00012141

Metabolite InformationStructural formula
Name Woodhousin
Formula C21H28O8
Mw 408.17841787
CAS RN 33143-54-3
C_ID C00012141 ,
InChIKey FFEWGNMVSRKASV-BISYSPHHNA-N
InChICode InChI=1S/C21H28O8/c1-10(2)18(23)28-15-8-20(6)9-16(26-13(5)22)21(25,29-20)11(3)7-14-17(15)12(4)19(24)27-14/h7,10,14-17,25H,4,8-9H2,1-3,5-6H3/b11-7-/t14-,15-,16+,17+,20-,21+/m1/s1
SMILES C\1=C(\[C@]2(O)O[C@](C[C@H]([C@@H]3[C@@H]1OC(=O)C3=C)OC(=O)C(C)C)(C[C@@H]2OC(=O)C)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBahia woodhousei Ref.
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