input word = C00045167

Metabolite InformationStructural formula
Name 20-Hydroxyecdysone 2-acetate
Formula C29H46O8
Mw 522.31926845
CAS RN 19536-25-5
C_ID C00045167 ,
InChIKey TXLUXHSVMYTTCI-JETTUYHRNA-N
InChICode InChI=1S/C29H46O8/c1-16(30)37-22-15-26(4)17-7-11-27(5)23(28(6,35)24(33)9-10-25(2,3)34)8-12-29(27,36)18(17)13-20(31)19(26)14-21(22)32/h13,17,19,21-24,32-36H,7-12,14-15H2,1-6H3/t17-,19-,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1
SMILES CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@H]1O)C(=O)C=C1[C@@H]2CC[C@]2(C)[C@@H]([C@@](C)(O)[C@H](O)CCC(C)(C)O)CC[C@@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaZoanthidaeZoanthus sp. Ref.
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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