input word = C00012217

Metabolite InformationStructural formula
Name Ixerin C
Formula C29H34O11
Mw 558.21011193
CAS RN 91486-98-5
C_ID C00012217 ,
InChIKey XYJGDDXPSUNBGS-NDSOPJADNA-N
InChICode InChI=1S/C29H34O11/c1-16-21-10-7-18(13-30)3-2-4-19(11-22(21)39-28(16)36)14-38-29-27(35)26(34)25(33)23(40-29)15-37-24(32)12-17-5-8-20(31)9-6-17/h3,5-6,8-9,11,13,21-23,25-27,29,31,33-35H,1-2,4,7,10,12,14-15H2/b18-3+,19-11+/t21-,22+,23-,25-,26+,27-,29-/m1/s1
SMILES [C@H]12[C@@H](OC(=O)C1=C)/C=C(\CC/C=C(\CC2)/C=O)/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)Cc1ccc(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIxeris tamagawaensis Ref.
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