input word = C00038226

Metabolite InformationStructural formula
Name 2-Deoxy-5,20,26-trihydroxyecdysone
Formula C27H44O8
Mw 496.30361838
CAS RN 1039035-94-3
C_ID C00038226 ,
InChIKey NCBZRFQCNAVKEM-OFINUAKZNA-N
InChICode InChI=1S/C27H44O8/c1-22(32,15-28)9-8-20(30)25(4,33)19-7-12-26(34)18-13-21(31)27(35)14-16(29)5-10-23(27,2)17(18)6-11-24(19,26)3/h13,16-17,19-20,28-30,32-35H,5-12,14-15H2,1-4H3/t16-,17-,19-,20-,22+,23+,24+,25+,26+,27+/m0/s1
SMILES CC(O)(CO)CCC(O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)CC[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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