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 C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1C(=CC2=O)[C@]2([C@](CC1)([C@H](CC2)[C@]([C@@H](CCC(C)(O)C)O)(O)C)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaZoanthidaeZoanthus sp. Ref.
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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