input word = C00036254

Metabolite InformationStructural formula
Name 23-Dehydrobrassinolide
Formula C28H46O6
Mw 478.3294392
CAS RN 208346-75-2
C_ID C00036254 ,
InChIKey IYINBIPRHKIWSU-SSGSFDLANA-N
InChICode InChI=1S/C28H46O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-23,25,29-30,32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23+,25+,27+,28+/m0/s1
SMILES CC(C)[C@H](C)C(=O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=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
PlantaeTaxodiaceaeCryptomeria japonica D.Don. Ref.
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