input word = C00042202

Metabolite InformationStructural formula
Name Afrogenin
Formula C23H34O6
Mw 406.23553882
CAS RN 77356-54-8
C_ID C00042202 ,
InChIKey PPMVAFKDEJNUOY-QRVUCKLWNA-N
InChICode InChI=1S/C23H34O6/c1-21-10-18(25)17(24)8-13(21)3-4-15-14(21)5-6-22(2)16(9-19(26)23(15,22)28)12-7-20(27)29-11-12/h7,13-19,24-26,28H,3-6,8-11H2,1-2H3/t13-,14-,15+,16+,17+,18+,19+,21-,22+,23+/m0/s1
SMILES C1[C@H]2[C@H]([C@@]3([C@](C1)([C@H](C[C@H]3O)C1=CC(=O)OC1)C)O)CC[C@@H]1[C@@]2(C[C@H]([C@@H](C1)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAsclepias curassavica Ref.
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