input word = C00011874

Metabolite InformationStructural formula
Name Deltoidin B
Formula C20H26O6
Mw 362.17293856
CAS RN 77063-90-2
C_ID C00011874 ,
InChIKey AFTMSDSWKBUAFB-CWQFBXCBNA-N
InChICode InChI=1S/C20H26O6/c1-6-11(3)18(22)24-14-8-10(2)7-13(21)9-20(5)17(26-20)16-15(14)12(4)19(23)25-16/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-7+,11-6-/t13-,14+,15-,16+,17-,20-/m1/s1
SMILES C=C1C(=O)O[C@@H]2C3O[C@]3(C)C[C@H](O)/C=C(C)C[C@H](OC(=O)/C(C)=CC)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium deltoideum Ref.
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