input word = C00033968

Metabolite InformationStructural formula
Name Ixerin O
(-)-Ixerin O
Formula C34H42O13
Mw 658.26254143
CAS RN 101153-63-3
C_ID C00033968 ,
InChIKey TXTVQBNNJGQHLN-FLXUVZKVNA-N
InChICode InChI=1S/C34H42O13/c1-14(2)27(38)33(42)43-22-10-15(3)20-12-21(16(4)25(20)31-26(22)17(5)32(41)47-31)44-34-29(40)28(39)30(23(13-35)45-34)46-24(37)11-18-6-8-19(36)9-7-18/h6-9,14,20-23,25-31,34-36,38-40H,3-5,10-13H2,1-2H3/t20-,21-,22+,23+,25-,26+,27+,28-,29+,30+,31+,34+/m0/s1
SMILES [C@H]12[C@@H]([C@@H](CC(=C)[C@H]3[C@@H]1C(=C)[C@H](C3)O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)OC(=O)Cc1ccc(cc1)O)CO)OC(=O)[C@@H](C(C)C)O)C(=C)C(=O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIxeris stolonifera A.Gray Ref.
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