input word = C00006236

Metabolite InformationStructural formula
Name Isoviolanthin
Formula C27H30O14
Mw 578.16355567
CAS RN 40788-84-9
C_ID C00006236 ,
InChIKey TWBWSPDILHVKEV-AILJZSFINA-N
InChICode InChI=1S/C27H30O14/c1-8-17(31)21(35)23(37)26(39-8)15-19(33)14-11(30)6-12(9-2-4-10(29)5-3-9)40-25(14)16(20(15)34)27-24(38)22(36)18(32)13(7-28)41-27/h2-6,8,13,17-18,21-24,26-29,31-38H,7H2,1H3/t8-,13+,17+,18-,21+,22+,23-,24-,26+,27+/m1/s1
SMILES CC1O[C@@H](c2c(O)c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c3oc(-c4ccc(O)cc4)cc(=O)c3c2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConocephalaceaeConocephalum conicum Ref.
PlantaeFabaceaeGlycyrrhiza glabra Ref.
PlantaeFabaceaeGlycyrrhiza inflata Ref.
PlantaeFabaceaeGlycyrrhiza kansuensis Ref.
PlantaeFabaceaeGlycyrrhiza spp. Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
PlantaeMarattiaceaeAngiopteris evecta Ref.
PlantaePassifloraceaePassiflora sexflora Ref.
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OrganismGlycyrrhiza kansuensis
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

Xing, et al., China Journal of Chinese Materia Medica(Zhongguo Zhongyao Zazhi), 28, (2003), 593