input word = C00049773

Metabolite InformationStructural formula
Name 22-epi-20-Hydroxyecdysone
Formula C27H44O7
Mw 480.30870376
CAS RN 123238-67-5
C_ID C00049773 ,
InChIKey NKDFYOWSKOHCCO-PAHGARNKNA-N
InChICode InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22-,24+,25+,26+,27+/m0/s1
SMILES CC(C)(O)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[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
PlantaeAsteraceaeSerratula tinctoria Ref.
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OrganismSerratula tinctoria
ReferenceBathori,J.Nat.Prod.,61,(1998),415