input word = C00004114

Metabolite InformationStructural formula
Name Chrysin 7-gentiobioside
Formula C27H30O14
Mw 578.16355567
CAS RN 88640-89-5
C_ID C00004114 ,
InChIKey XGMGGAPZYUWNMO-WIFMXYSFNA-N
InChICode InChI=1S/C27H30O14/c28-9-17-20(31)22(33)24(35)26(40-17)37-10-18-21(32)23(34)25(36)27(41-18)38-12-6-13(29)19-14(30)8-15(39-16(19)7-12)11-4-2-1-3-5-11/h1-8,17-18,20-29,31-36H,9-10H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
SMILES O=c1cc(-c2ccccc2)oc2cc(O[C@@H]3OC(CO[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@@H](O)[C@H](O)C3O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSpartium junceum Ref.
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