input word = C00045173

Metabolite InformationStructural formula
Name 2-Deoxyecdysterone
Formula C27H44O6
Mw 464.31378914
CAS RN 17942-08-4
C_ID C00045173 ,
InChIKey JNTQSSGVHLUIBL-XNPXRFCENA-N
InChICode InChI=1S/C27H44O6/c1-23(2,31)10-9-22(30)26(5,32)21-8-13-27(33)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15-17,19,21-22,28,30-33H,6-14H2,1-5H3/t16-,17-,19-,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)CC[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaZoanthidaeZoanthus sp. Ref.
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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