input word = C00034550

Metabolite InformationStructural formula
Name Iritectol B
Formula C30H50O5
Mw 490.36582471
CAS RN 941712-47-6
C_ID C00034550 ,
InChIKey DFJMIRLFDMBSHL-PEKTZSDXNA-N
InChICode InChI=1S/C30H50O5/c1-21(2)11-8-16-29(6)27(33)19-26(35-29)22(3)12-9-15-28(5)25(13-10-18-31)24(23(4)20-32)14-17-30(28,7)34/h11-12,20,25-27,31,33-34H,8-10,13-19H2,1-7H3/b22-12+,24-23-/t25-,26-,27-,28+,29+,30+/m1/s1
SMILES [C@]1([C@@H](/C(=C(\C=O)/C)/CC[C@]1(C)O)CCCO)(CC/C=C(\C)/[C@@H]1O[C@@]([C@@H](C1)O)(C)CCC=C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeIris tectorum Ref.
zoom in