input word = C00032985

Metabolite InformationStructural formula
Name Frugoside
Formula C29H44O9
Mw 536.298533
CAS RN 546-02-1
C_ID C00032985 ,
InChIKey WPVGSIBYLZQSIK-JEEOMHECNA-N
InChICode InChI=1S/C29H44O9/c1-15-23(32)24(33)25(34)26(37-15)38-18-5-9-28(14-30)17(12-18)3-4-21-20(28)6-8-27(2)19(7-10-29(21,27)35)16-11-22(31)36-13-16/h11,15,17-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t15-,17+,18+,19-,20+,21-,23-,24-,25-,26+,27-,28-,29+/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)C1=CC(=O)OC1)C)O)CO)O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAsclepias incarnata L. Ref.
PlantaeApocynaceaeGomphocarpus fruticosus R.Br. Ref.
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