input word = C00037198

Metabolite InformationStructural formula
Name Gnemonoside B
Formula C40H42O16
Mw 778.2472853
CAS RN 391894-48-7
C_ID C00037198 ,
InChIKey HJTMMHOPYFZLPA-OWOJBTEDNA-N
InChICode InChI=1S/C40H42O16/c41-16-28-32(46)34(48)36(50)39(55-28)52-24-7-3-18(4-8-24)1-2-19-11-26(45)31-27(12-19)54-38(30(31)21-13-22(43)15-23(44)14-21)20-5-9-25(10-6-20)53-40-37(51)35(49)33(47)29(17-42)56-40/h1-15,28-30,32-51H,16-17H2/b2-1+/t28-,29+,30+,32-,33+,34+,35-,36-,37+,38-,39+,40+/m1/s1
SMILES OCC1OC(Oc2ccc(/C=C/c3cc(O)c4c(c3)OC(c3ccc(OC5OC(CO)C(O)C(O)C5O)cc3)C4c3cc(O)cc(O)c3)cc2)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGnetaceaeGnetum gnemon Ref.
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OrganismGnetum gnemon
ReferenceIliya,Phytochem.,62,(2003),601