input word = C00006393

Metabolite InformationStructural formula
Name Isosaponarin
Formula C27H30O15
Mw 594.15847029
CAS RN 19416-87-6
C_ID C00006393 ,
InChIKey SFNFQCXADNWOCI-ALWFZJRANA-N
InChICode InChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(41-15)18-12(31)6-14-17(21(18)34)11(30)5-13(40-14)9-1-3-10(4-2-9)39-27-25(38)23(36)20(33)16(8-29)42-27/h1-6,15-16,19-20,22-29,31-38H,7-8H2/t15-,16+,19+,20+,22-,23-,24+,25+,26-,27+/m0/s1
SMILES O=c1cc(-c2ccc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc2)oc2cc(O)c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeGypsophila spp. Ref.
PlantaeCaryophyllaceaeMelandrium album Ref.
PlantaeCaryophyllaceaeSilene bupleuroides Ref.
PlantaeCaryophyllaceaeSilene chlorifolia Ref.
PlantaeCaryophyllaceaeSilene compacta Ref.
PlantaeCaryophyllaceaeSilene cretica Ref.
PlantaeCaryophyllaceaeSilene cubanensis Ref.
PlantaeCaryophyllaceaeSilene polaris Ref.
PlantaeCaryophyllaceaeVaccaria segetalis Ref.
PlantaeFabaceaePsoralea spp. Ref.
PlantaeGentianaceaeGentiana decumbens Ref.
PlantaeGentianaceaeGentiana decumbers Ref.
PlantaeGentianaceaeGentiana linearis Ref.
PlantaeGentianaceaeGentiana spp. Ref.
PlantaeGentianaceaeGentiana triflora Ref.
PlantaeLemnaceaeSpirodela intermedia Ref.
PlantaeLemnaceaeSpirodela oligorrhiza Ref.
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OrganismSpirodela intermedia
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 549,C-glycosylflavones

Jurd,Arch.Biochem.Biophys.,67,(1957),284

Hostettmann,Helv.Chim.Acta,56,(1973),3050