input word = C00036649

Metabolite InformationStructural formula
Name 7-Deoxo-7beta-hydroxykihadanin A
Formula C26H32O9
Mw 488.20463262
CAS RN 329318-73-2
C_ID C00036649 ,
InChIKey JLTJUKMGFHVOER-UUIRAQGUNA-N
InChICode InChI=1S/C26H32O9/c1-22(2)14-11-15(27)25(5)13(23(14,3)8-7-16(28)34-22)6-9-24(4)18(12-10-17(29)32-20(12)30)33-21(31)19-26(24,25)35-19/h7-8,10,13-15,18-20,27,30H,6,9,11H2,1-5H3/t13-,14+,15+,18+,19-,20+,23-,24+,25+,26-/m1/s1
SMILES CC1(C)OC(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](C5=CC(=O)OC5O)OC(=O)[C@H]5O[C@]54[C@]3(C)[C@@H](O)C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeTrichilia elegans ssp. elegans Ref.
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