input word = C00020798

Metabolite InformationStructural formula
Name Subexpinnatin
Formula C19H22O5
Mw 330.14672381
CAS RN 81421-79-6
C_ID C00020798 ,
InChIKey PHJYCLCTXRJHJZ-RCSZLJDYNA-N
InChICode InChI=1S/C19H22O5/c1-9-5-6-13-10(2)7-14(23-18(21)11(3)8-20)16-12(4)19(22)24-17(16)15(9)13/h13-17,20H,1-8H2/t13-,14-,15-,16+,17+/m0/s1
SMILES [C@@H]12[C@@H]([C@@H]3[C@@H]([C@H](CC1=C)OC(=O)C(=C)CO)C(=C)C(=O)O3)C(=C)CC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea canariensis Ref.
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