input word = C00033969

Metabolite InformationStructural formula
Name Ixerin P
(-)-Ixerin P
Formula C34H42O13
Mw 658.26254143
CAS RN 101153-64-4
C_ID C00033969 ,
InChIKey SGEAESJBAYKDCK-SZBZOASBNA-N
InChICode InChI=1S/C34H42O13/c1-14(2)27(37)33(42)44-22-10-15(3)20-12-21(16(4)25(20)31-26(22)17(5)32(41)47-31)45-34-30(40)29(39)28(38)23(46-34)13-43-24(36)11-18-6-8-19(35)9-7-18/h6-9,14,20-23,25-31,34-35,37-40H,3-5,10-13H2,1-2H3/t20-,21-,22+,23+,25-,26+,27-,28+,29-,30+,31+,34+/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O[C@@H]4O[C@H](COC(=O)Cc5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)C[C@H]3C(=C)C[C@@H](OC(=O)C(O)C(C)C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIxeris debilis A. Gray Ref.
PlantaeAsteraceaeIxeris stolonifera A.Gray Ref.
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