input word = C00034549

Metabolite InformationStructural formula
Name Iritectol A
(+)-Iritectol A
Formula C30H50O5
Mw 490.36582471
CAS RN 942037-71-0
C_ID C00034549 ,
InChIKey PWIUYVBRAXUOPC-VFUPHKQHNA-N
InChICode InChI=1S/C30H50O5/c1-21(2)10-8-11-22(3)13-14-26(33)30(7)27(35-30)16-17-28(5)25(12-9-19-31)24(23(4)20-32)15-18-29(28,6)34/h10,13,20,25-27,31,33-34H,8-9,11-12,14-19H2,1-7H3/b22-13+,24-23-/t25?,26-,27-,28+,29+,30-/m1/s1
SMILES CC(C)=CCC/C(C)=C/C[C@@H](O)C1(C)OC1CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeIris tectorum Ref.
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