input word = C00036698

Metabolite InformationStructural formula
Name Ailanquassin B
(-)-Samaderine Y
Formula C20H26O7
Mw 378.16785319
CAS RN 159903-53-4
C_ID C00036698 ,
InChIKey RIJRPXOHKGHZPR-IINVUQMNNA-N
InChICode InChI=1S/C20H26O7/c1-8-4-10(21)16(24)18(2)9(8)5-12-20-7-26-19(3,11(20)6-13(22)27-12)17(25)14(23)15(18)20/h4,9,11-12,14-17,23-25H,5-7H2,1-3H3/t9-,11-,12+,14+,15+,16+,17-,18-,19-,20+/m0/s1
SMILES C1(=O)C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)C[C@H]3[C@]([C@H]([C@@H]1O)O)(C)OC4)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus malabarica Ref.
PlantaeSimaroubaceaeEurycoma harmandiana Ref.
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