input word = C00038214

Metabolite InformationStructural formula
Name 22,23-Epoxyiridal
Formula C30H50O4
Mw 474.37091008
CAS RN 538321-46-9
C_ID C00038214 ,
InChIKey LHIOARNVSADKCD-IEGZEMMVNA-N
InChICode InChI=1S/C30H50O4/c1-22(2)11-8-18-29(6)27(34-29)15-14-23(3)12-9-17-28(5)26(13-10-20-31)25(24(4)21-32)16-19-30(28,7)33/h11-12,21,26-27,31,33H,8-10,13-20H2,1-7H3/b23-12+,25-24-/t26-,27-,28+,29+,30+/m1/s1
SMILES [C@@]1([C@@](CC/C(=C(\C)/C=O)/[C@H]1CCCO)(C)O)(CC/C=C(/CC[C@@H]1[C@](CCC=C(C)C)(O1)C)\C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeIris cristata Ref.
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OrganismIris cristata
ReferenceTaillet,Phytochem.,52,(1999),1597