input word = C00039418

Metabolite InformationStructural formula
Name Intybusoloid
(-)-Intybusoloid
Formula C27H34O8
Mw 486.22536806
CAS RN 1011244-46-4
C_ID C00039418 ,
InChIKey GOYZKWCPWBKPIG-FOKAZTFDNA-N
InChICode InChI=1S/C27H34O8/c1-14-16-7-9-25(4)22(15-8-10-33-13-15)34-19(29)12-27(14,25)35-18-11-17(28)24(2,3)21(26(16,18)5)20(30)23(31)32-6/h8,10,13,16,18,20-22,30H,1,7,9,11-12H2,2-6H3/t16-,18-,20-,21-,22+,25-,26-,27-/m0/s1
SMILES C=C1[C@@H]2CC[C@@]3(C)[C@@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1CC(=O)C(C)(C)[C@H]([C@H](O)C(=O)OC)[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCichorium intybus Ref.
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OrganismCichorium intybus
ReferenceAtta-ur-Rahman,J.Nat.Prod.,71,(2008),910