input word = C00056389

Metabolite InformationStructural formula
Name Ichanexic acid
Formula C26H32O11
Mw 520.19446187
CAS RN 1044818-57-6
C_ID C00056389
InChIKey GNHQKMSKORXBRT-OGECFXSASA-N
InChICode InChI=1S/C26H32O11/c1-22(2,33)13-8-14(27)24(4)12(25(13)10-34-16(29)9-15(25)28)5-6-23(3)18(11-7-17(30)35-20(11)31)36-21(32)19-26(23,24)37-19/h7,12-13,15,17-19,28,30,33H,5-6,8-10H2,1-4H3/t12?,13-,15+,17?,18-,19-,23-,24+,25?,26+/m0/s1
SMILES OC1OC(C([C@@](O2)([H])[C@]3(C)CCC([C@@]4(C)[C@@]3(O5)[C@]5([H])C2=O)C6(COC(C[C@H]6O)=O)[C@H](C(C)(O)C)CC4=O)=C1)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus aurantium Ref.
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