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 O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C(CO)O[C@@H](OC[C@@H](O)c2ccc(O)c(O)c2)C(O)[C@H]1O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaePlantago asiatica Ref.
zoom in



OrganismPlantago asiatica
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter42