input word = C00040042

Metabolite InformationStructural formula
Name Nigracin
Poliothyrsoside
Formula C20H22O9
Mw 406.1263823
CAS RN 18463-25-7
C_ID C00040042 ,
InChIKey FLROYCKIIJCTDY-LGUPCXNPNA-N
InChICode InChI=1S/C20H22O9/c21-9-12-8-13(22)6-7-14(12)28-20-18(25)17(24)16(23)15(29-20)10-27-19(26)11-4-2-1-3-5-11/h1-8,15-18,20-25H,9-10H2/t15-,16-,17+,18-,20-/m1/s1
SMILES O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2CO)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFlacourtiaceaeItoa orientalis Ref.
PlantaeSalicaceaePopulus nigra Ref.
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OrganismPopulus nigra
ReferenceBoeckler, G. A. et al., Phytochemistry, 72, (2011), 1497-1509.