input word = C00002750

Metabolite InformationStructural formula
Name Hellicoside
Formula C29H36O17
Mw 656.19524973
CAS RN 132278-04-7
C_ID C00002750 ,
InChIKey IKASMYQBXBUEQS-VRJOZIDYNA-N
InChICode InChI=1S/C29H36O17/c30-9-19-22(38)23(39)24(40)29(43-19)46-27-25(41)28(42-11-18(36)13-3-5-15(33)17(35)8-13)44-20(10-31)26(27)45-21(37)6-2-12-1-4-14(32)16(34)7-12/h1-8,18-20,22-36,38-41H,9-11H2/b6-2+/t18-,19+,20+,22-,23+,24+,25-,26-,27-,28-,29+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@H]1CO)OC[C@H](c1ccc(c(c1)O)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)OC(=O)/C=C/c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaePlantago asiatica Ref.
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