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 C(=C\OC(=O)C)(/CC(=O)C[C@@H](CCC/C(=C/CC/C(=C\OC(=O)C)/C=C/OC(=O)C)/C)C)\COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeUdoteaceaeChlorodesmis fastigiata Ref.
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