input word = C00038280

Metabolite InformationStructural formula
Name 5,20,26-Trihydroxyecdysone 20,22-acetonide
Formula C30H48O9
Mw 552.32983313
CAS RN 1039035-97-6
C_ID C00038280 ,
InChIKey ZJNBRMJTFYQDIR-FLRGGALWNA-N
InChICode InChI=1S/C30H48O9/c1-24(2)38-23(9-10-25(3,35)16-31)28(6,39-24)21-8-12-29(36)18-13-22(34)30(37)15-20(33)19(32)14-27(30,5)17(18)7-11-26(21,29)4/h13,17,19-21,23,31-33,35-37H,7-12,14-16H2,1-6H3/t17-,19-,20+,21-,23+,25-,26+,27+,28+,29+,30+/m0/s1
SMILES CC(O)(CO)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeSilene viridiflora Ref.
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OrganismSilene viridiflora
ReferenceToth,J.Nat.Prod.,71,(2008),1461