input word = C00020464

Metabolite InformationStructural formula
Name Anomalide
Formula C20H26O8
Mw 394.16276781
CAS RN 73543-78-9
C_ID C00020464 ,
InChIKey IIXSMSPNCAECDY-UHFFFAOYNA-N
InChICode InChI=1S/C20H26O8/c1-5-8(2)15(21)26-10-6-19(23)7-25-20(24)14(19)12(18(4)17(20)28-18)13-11(10)9(3)16(22)27-13/h8,10-14,17,23-24H,3,5-7H2,1-2,4H3/t8-,10-,11+,12+,13-,14+,17-,18-,19+,20-/m0/s1
SMILES [C@@H]12[C@@H]3[C@@H]4[C@@](C[C@@H]([C@H]1C(=C)C(=O)O2)OC(=O)[C@@H](C)CC)(CO[C@@]4([C@@H]1[C@]3(O1)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium mohrii Ref.
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