input word = C00038221

Metabolite InformationStructural formula
Name 29-Acetoxyspiroiridal
Formula C32H48O6
Mw 528.34508926
CAS RN 126665-80-3
C_ID C00038221 ,
InChIKey KPFIRSWIEJGVNZ-PJKCUKNVNA-N
InChICode InChI=1S/C32H48O6/c1-22(2)10-7-12-26(21-38-25(5)35)13-8-11-23(3)28-16-18-32(30(28)36)29(14-9-19-33)27(24(4)20-34)15-17-31(32,6)37/h8,10-11,13,20,28-30,33,36-37H,3,7,9,12,14-19,21H2,1-2,4-6H3/b11-8+,26-13-,27-24-/t28-,29+,30+,31-,32-/m0/s1
SMILES C=C(/C=C/C=C(/CCC=C(C)C)COC(C)=O)[C@@H]1CCC2([C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeIris cristata Ref.
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