input word = C00022035

Metabolite InformationStructural formula
Name Dihydrochlorodesmin
Formula C28H40O9
Mw 520.26723288
CAS RN 72877-83-9
C_ID C00022035 ,
InChIKey DNBVGRJMDFFMNP-OEPQEEDANA-N
InChICode InChI=1S/C28H40O9/c1-20(10-8-12-26(17-35-23(4)30)13-14-34-22(3)29)9-7-11-21(2)15-28(33)16-27(18-36-24(5)31)19-37-25(6)32/h10,13-14,17-18,21H,7-9,11-12,15-16,19H2,1-6H3/b14-13+,20-10+,26-17+,27-18-/t21-/m1/s1
SMILES CC(=O)O/C=C(COC(C)=O)CC(=O)CC(C)CCC/C(C)=C/CCC(/C=C/OC(C)=O)=COC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeUdoteaceaeChlorodesmis fastigiata Ref.
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OrganismChlorodesmis fastigiata
ReferenceWells,Experientia,35,(1979),1544