input word = C00029761

Metabolite InformationStructural formula
Name Atratogenin A
Formula C21H28O4
Mw 344.19875938
CAS RN 107494-68-8
C_ID C00029761 ,
InChIKey YQNOQDNQJZJMBU-XRANMBHCNA-N
InChICode InChI=1S/C21H28O4/c1-12-15(7-9-25-12)20(2)8-6-16-14(19(20)24)5-4-13-10-17(22)18(23)11-21(13,16)3/h4,7,9,14,16-18,22-23H,5-6,8,10-11H2,1-3H3/t14-,16+,17-,18-,20-,21+/m1/s1
SMILES Cc1occc1[C@@]1(C)CC[C@H]2[C@@H](CC=C3C[C@@H](O)[C@H](O)C[C@@]32C)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCynanchum sublanceolatum Ref.
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