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 C1C[C@@]2([C@H]([C@@H]3[C@@H]([C@@H](C/C(=C/1)/C)OC(=O)/C(=C\C)/C)C(=C)C(=O)O3)O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium deltoideum Ref.
PlantaeAsteraceaeEupatorium serotinum Ref.
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