input word = C00003716

Metabolite InformationStructural formula
Name Ichangin
Formula C26H32O9
Mw 488.20463262
CAS RN 10171-61-6
C_ID C00003716 ,
InChIKey GNNAZOFNKOMONV-GVFPMXKVNA-N
InChICode InChI=1S/C26H32O9/c1-22(2,31)15-9-16(27)24(4)14(25(15)12-33-18(29)10-17(25)28)5-7-23(3)19(13-6-8-32-11-13)34-21(30)20-26(23,24)35-20/h6,8,11,14-15,17,19-20,28,31H,5,7,9-10,12H2,1-4H3/t14-,15+,17+,19+,20-,23+,24+,25-,26-/m1/s1
SMILES C1[C@@H]2[C@@]([C@]34[C@@](C1)([C@@H](OC(=O)[C@H]3O4)c1cocc1)C)(C)C(=O)C[C@H]([C@]12COC(=O)C[C@@H]1O)C(C)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus ichangensis Ref.
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