input word = C00046342

Metabolite InformationStructural formula
Name Quinquangulin 6-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside
(-)-Quinquangulin 6-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside
Formula C27H32O14
Mw 580.17920573
CAS RN 132922-81-7
C_ID C00046342 ,
InChIKey OILHXJPQNHMBHT-UFRXZKHPNA-N
InChICode InChI=1S/C27H32O14/c1-10-4-13(29)19-15(39-10)5-12-11(2)14(36-3)6-16(18(12)21(19)31)40-25-23(33)22(32)20(30)17(41-25)7-37-26-24(34)27(35,8-28)9-38-26/h4-6,17,20,22-26,28,30-35H,7-9H2,1-3H3/t17-,20+,22+,23-,24+,25-,26-,27-/m1/s1
SMILES COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(O)c3c(=O)cc(C)oc3cc2c1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia quinquangulata Ref.
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