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 C1(=C)C[C@@H]([C@@H]2[C@H](/C=C(/CC[C@@H]1OO)\C)OC(=O)C2=C)OC(=O)/C(=C/CO)/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcanthospermum hispidum Ref.
PlantaeAsteraceaeEupatorium sachalinense Ref.
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