input word = C00012103

Metabolite InformationStructural formula
Name Deltoidin A
Formula C20H26O5
Mw 346.17802394
CAS RN 77096-83-4
C_ID C00012103 ,
InChIKey DWNHGPRUSBRDRF-MROLAANMNA-N
InChICode InChI=1S/C20H26O5/c1-6-12(3)18(21)23-14-10-11(2)8-7-9-20(5)17(25-20)16-15(14)13(4)19(22)24-16/h6,8,14-17H,4,7,9-10H2,1-3,5H3/b11-8+,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)=CC)C/C(C)=C/CC[C@@]1(C)O[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium deltoideum Ref.
PlantaeAsteraceaeEupatorium serotinum Ref.
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