input word = C00050564

Metabolite InformationStructural formula
Name Convallamarin
Formula C44H70O19
Mw 902.45113006
CAS RN 1391-12-4
C_ID C00050564
InChIKey YIVJHIINQZUPTD-JZJUYLCRSA-N
InChICode InChI=1S/C30H28O11/c1-14-9-17-11-19(12-21(33)25(17)29-24(14)20(32)10-15(2)39-29)40-30-28(37)27(36)26(35)22(41-30)13-38-23(34)8-5-16-3-6-18(31)7-4-16/h3-12,22,26-28,30-31,33,35-37H,13H2,1-2H3/b8-5+/t22-,26-,27+,28-,30-/m1/s1
SMILES C=C(CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](C)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H]6O)C[C@@H](O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7O[C@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaeConvallaria keiskei Ref.
PlantaeConvallariaceaeConvallaria majalis Ref.
PlantaeConvallariaceaePolygonatum odoratum Ref.
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OrganismConvallaria keiskei
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Edited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979).