input word = C00048286

Metabolite InformationStructural formula
Name 3-epi-20-Hydroxyecdysone
Formula C27H44O7
Mw 480.30870376
CAS RN 54053-93-9
C_ID C00048286 ,
InChIKey NKDFYOWSKOHCCO-JBFYOFGMNA-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 [C@]12([C@@](C3=CC(=O)[C@H]4[C@@]([C@H]3CC1)(C[C@@H]([C@H](C4)O)O)C)(O)CC[C@@H]2[C@@](O)([C@@H](CCC(C)(O)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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