input word = C00003271

Metabolite InformationStructural formula
Name Eupahyssopin
Formula C20H26O7
Mw 378.16785319
CAS RN 57718-77-1
C_ID C00003271 ,
InChIKey CWNJPEXNWXFLHM-JODITZAANA-N
InChICode InChI=1S/C20H26O7/c1-11-5-4-7-20(10-22)17(27-20)16-15(13(3)19(24)26-16)14(9-11)25-18(23)12(2)6-8-21/h5-6,14-17,21-22H,3-4,7-10H2,1-2H3/b11-5+,12-6+/t14-,15-,16+,17-,20+/m1/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/CO)C/C(C)=C/CC[C@@]1(CO)O[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium hyssopifolium Ref.
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