input word = C00010646

Metabolite InformationStructural formula
Name Patrinalloside
Formula C21H34O11
Mw 462.21011193
CAS RN 113349-26-1
C_ID C00010646 ,
InChIKey BGDMXWQJUGENQP-GVHYIVRHNA-N
InChICode InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16-,17-,18+,19-,20+,21-/m1/s1
SMILES [C@H]12[C@@H]([C@@H](OC=C1CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CC(C)C)[C@H]([C@H](C2)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaePenstemon hirsutus Ref.
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OrganismPenstemon hirsutus
ReferenceGering,J.Nat.Prod.,50,(1987),1048