input word = C00003570

Metabolite InformationStructural formula
Name Convallasaponin A
Formula C32H52O9
Mw 580.36113326
CAS RN 19316-94-0
C_ID C00003570 ,
InChIKey CDJCQFDFKCXDKX-SYXGQHQANA-N
InChICode InChI=1S/C32H52O9/c1-16-5-10-32(39-14-16)17(2)25-23(41-32)12-21-19-6-9-31(37)13-18(40-28-27(36)26(35)22(33)15-38-28)11-24(34)30(31,4)20(19)7-8-29(21,25)3/h16-28,33-37H,5-15H2,1-4H3/t16-,17-,18-,19+,20-,21-,22-,23-,24+,25-,26-,27+,28-,29-,30-,31-,32+/m0/s1
SMILES C1[C@@H](C[C@@]2([C@]([C@@H]1O)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@]2([C@H]1C)OC[C@H](CC2)C)C)C)O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaeConvallaria keiskei Ref.
PlantaeConvallariaceaeConvallaria majalis Ref.
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