input word = C00039372

Metabolite InformationStructural formula
Name Hirtusneanoside
Formula C40H46O17
Mw 798.27350005
CAS RN 953814-90-9
C_ID C00039372 ,
InChIKey LHQIFHZZZNSCPS-UHFFFAOYNA-N
InChICode InChI=1S/C40H46O17/c1-12-9-19-23(31(46)25-18(41)8-14(3)35(50)39(25,56-19)11-54-37-34(49)33(48)28(43)17(6)55-37)29(44)21(12)22-13(2)10-20-24(30(22)45)32(47)26-27(42)15(4)16(5)36(51)40(26,57-20)38(52)53-7/h9-10,14-17,28,33-37,41-45,48-51H,8,11H2,1-7H3/t14-,15+,16+,17-,28-,33+,34-,35-,36+,37+,39-,40+/m0/s1
SMILES COC(=O)C12Oc3cc(C)c(-c4c(C)cc5c(c4O)C(=O)C4=C(O)CC(C)C(O)C4(COC4OC(C)C(O)C(O)C4O)O5)c(O)c3C(=O)C1=C(O)C(C)C(C)C2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiParmeliaceaeUsnea hirta Ref.
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OrganismUsnea hirta
ReferenceRezanka,J.Nat.Prod.,70,(2007),1487