input word = C00011858

Metabolite InformationStructural formula
Name Peroxysachalinin
Formula C20H26O8
Mw 394.16276781
CAS RN 72948-02-8
C_ID C00011858 ,
InChIKey XKKROPUZCIUQMV-RGAIULRVNA-N
InChICode InChI=1S/C20H26O8/c1-11-4-5-15(28-25)12(2)9-17(27-20(24)14(10-22)6-7-21)18-13(3)19(23)26-16(18)8-11/h6,8,15-18,21-22,25H,2-5,7,9-10H2,1H3/b11-8+,14-6+/t15-,16-,17-,18-/m0/s1
SMILES C=C1CC(OC(=O)C(=CCO)CO)C2C(=C)C(=O)OC2/C=C(C)CCC1OO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcanthospermum hispidum Ref.
PlantaeAsteraceaeEupatorium sachalinense Ref.
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