input word = C00036110

Metabolite InformationStructural formula
Name Deniagenin
(-)-Deniagenin
Formula C21H34O6
Mw 382.23553882
CAS RN 651712-06-0
C_ID C00036110 ,
InChIKey PJDRPKPUOVBEGQ-FNALZZHNNA-N
InChICode InChI=1S/C21H34O6/c1-11(22)20(26)8-9-21(27)14-5-4-12-10-13(23)6-7-18(12,2)15(14)16(24)17(25)19(20,21)3/h4,11,13-17,22-27H,5-10H2,1-3H3/t11-,13+,14-,15-,16+,17-,18+,19-,20-,21+/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)[C@@H]([C@H]([C@]1([C@@]3(CC[C@]1([C@@H](C)O)O)O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMarsdenia roylei Ref.
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OrganismMarsdenia roylei
ReferenceGupta,Phytochem.,64,(2003),1327