input word = C00041353

Metabolite InformationStructural formula
Name Argeloside N
(-)-Argeloside N
Formula C55H86O22
Mw 1098.56107443
CAS RN 874118-60-2
C_ID C00041353 ,
InChIKey HKMFQRYTAGYLQG-BENLAEANNA-N
InChICode InChI=1S/C55H86O22/c1-24-44(32(61-8)19-37(66-24)70-29-14-16-52(5)28(18-29)12-13-31-30(52)15-17-53(6)49-36-23-65-54(49,7)77-55(31,53)76-36)72-38-20-33(62-9)45(25(2)67-38)73-39-21-34(63-10)46(26(3)68-39)74-51-43(60)48(64-11)47(27(4)69-51)75-50-42(59)41(58)40(57)35(22-56)71-50/h12,24-27,29-31,33-43,45-51,56-60H,13-23H2,1-11H3/t24-,25+,26-,27-,29+,30+,31-,33+,34-,35-,36-,37+,38-,39+,40+,41+,42-,43-,45+,46-,47-,48-,49+,50+,51+,52+,53-,54-,55+/m1/s1
SMILES [C@]123[C@@H]4CC=C5[C@@]([C@H]4CC[C@@]1([C@H]1[C@@](O2)(OC[C@H]1O3)C)C)(CC[C@@H](C5)O[C@@H]1O[C@@H](C(=C(C1)OC)O[C@@H]1C[C@@H]([C@H]([C@@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H](C1)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)OC)O)C)OC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeSolenostemma argel Ref.
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