input word = C00064393

Metabolite InformationStructural formula
Name Agapanthagenin
Formula C27H44O5
Mw 448.31887452
CAS RN 546-37-2
C_ID C00064393
InChIKey IWRHKMTUIIDCDO-FHSZOFNGSA-N
InChICode InChI=1S/C27H44O5/c1-15-5-10-27(31-14-15)16(2)23-22(32-27)11-19-17-6-9-26(30)13-21(29)20(28)12-25(26,4)18(17)7-8-24(19,23)3/h15-23,28-30H,5-14H2,1-4H3/t15-,16+,17-,18+,19+,20-,21-,22+,23+,24+,25-,26-,27-/m1/s1
SMILES CC1CCC2(OC1)OC1CC3C4CCC5(O)CC(O)C(O)CC5(C)C4CCC3(C)C1C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium hirtifolium Ref.
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