input word = C00039932

Metabolite InformationStructural formula
Name Parishin
Formula C45H56O25
Mw 996.31106734
CAS RN 62499-28-9
C_ID C00039932 ,
InChIKey WYKQPGOKTKQHQG-JKYRSWFSNA-N
InChICode InChI=1S/C45H56O25/c46-15-27-32(51)35(54)38(57)41(68-27)65-24-7-1-21(2-8-24)18-62-30(49)13-45(61,44(60)64-20-23-5-11-26(12-6-23)67-43-40(59)37(56)34(53)29(17-48)70-43)14-31(50)63-19-22-3-9-25(10-4-22)66-42-39(58)36(55)33(52)28(16-47)69-42/h1-12,27-29,32-43,46-48,51-59,61H,13-20H2/t27-,28-,29-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42-,43-/m1/s1
SMILES c1c(ccc(c1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)COC(=O)[C@](CC(=O)OCc1ccc(cc1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(CC(=O)OCc1ccc(cc1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeGastrodia elata Ref.
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OrganismGastrodia elata
ReferenceHuang,J.Nat.Prod.,70,(2007),571