input word = C00055593

Metabolite InformationStructural formula
Name 1-desacetylwilforine
Formula C41H47NO17
Mw 825.28439909
CAS RN 1239954-41-6
C_ID C00055593
InChIKey IMNNEHTZSRSGSH-UHFFFAOYSA-N
InChICode InChI=1S/C41H47NO17/c1-20-15-16-27-26(14-11-17-42-27)37(50)53-18-38(6)28-29(54-22(3)44)34(56-24(5)46)40(19-52-21(2)43)31(47)30(57-36(49)25-12-9-8-10-13-25)33(58-35(20)48)39(7,51)41(40,59-38)32(28)55-23(4)45/h8-14,17,20,28-34,47,51H,15-16,18-19H2,1-7H3
SMILES CC(=O)OCC12C(O)C(OC(=O)c3ccccc3)C3OC(=O)C(C)CCc4ncccc4C(=O)OCC4(C)OC1(C(OC(C)=O)C4C(OC(C)=O)C2OC(C)=O)C3(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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