input word = C00048267

Metabolite InformationStructural formula
Name 22-Oxo-20-hydroxyecdysone
Formula C27H42O7
Mw 478.2930537
CAS RN 19974-12-0
C_ID C00048267 ,
InChIKey IILSBUXFTVZCJS-DCCPLLKUNA-N
InChICode InChI=1S/C27H42O7/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/h12,15,17,19-21,29-30,32-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,24+,25+,26+,27+/m0/s1
SMILES CC(C)(O)CCC(=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
PlantaeAsteraceaeRhaponticum carthamoides Ref.
PlantaeCommelinaceaeCyanotis arachnoidea Ref.
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OrganismCyanotis arachnoidea
ReferenceTan, et al., APS, 38, (2003), 760