input word = C00045219

Metabolite InformationStructural formula
Name Agastinol
(-)-Agastinol
Formula C27H28O8
Mw 480.17841787
CAS RN 413615-33-5
C_ID C00045219 ,
InChIKey GFXHOKACHHWSQG-IWGGCQTRNA-N
InChICode InChI=1S/C27H28O8/c1-32-24-12-16(3-9-22(24)29)11-19-14-34-26(18-6-10-23(30)25(13-18)33-2)21(19)15-35-27(31)17-4-7-20(28)8-5-17/h3-10,12-13,19,21,26,28-30H,11,14-15H2,1-2H3/t19-,21-,26+/m1/s1
SMILES COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2COC(=O)c2ccc(O)cc2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAgastache rugosa Ref.
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OrganismAgastache rugosa
ReferenceLee,J.Nat.Prod.,65,(2002),414