input word = C00014646

Metabolite InformationStructural formula
Name Iryantherin J
rel-3-(1,3-Benzodioxol-5-yl)-1-[3-[(1R,2S,3R)-1,4-bis(4-hydroxyphenyl)-2,3-dimethylbutyl]-2,4,6-trihydroxyphenyl]-1-propanone
Formula C34H34O8
Mw 570.22536806
CAS RN 163959-60-2
C_ID C00014646 ,
InChIKey FAGZEPREVXXJOQ-LZSVNXDNNA-N
InChICode InChI=1S/C34H34O8/c1-19(15-21-3-9-24(35)10-4-21)20(2)31(23-7-11-25(36)12-8-23)33-28(39)17-27(38)32(34(33)40)26(37)13-5-22-6-14-29-30(16-22)42-18-41-29/h3-4,6-12,14,16-17,19-20,31,35-36,38-40H,5,13,15,18H2,1-2H3/t19-,20+,31-/m1/s1
SMILES C([C@H]([C@@H]([C@@H](c1c(cc(c(c1O)C(=O)CCc1ccc2c(c1)OCO2)O)O)c1ccc(cc1)O)C)C)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyristicaceaeIryanthera grandis Ref.
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