input word = C00014451

Metabolite InformationStructural formula
Name Isogemichalcone B
3'-(4-Coumaroyloxy-3-methylbutyl-2(E)-enyl)-4,2',4'-trihydroxychalcone
Formula C29H26O7
Mw 486.16785319
CAS RN 189031-28-5
C_ID C00014451 ,
InChIKey YKTQNXNBVRMYNF-YVMHTMGASA-N
InChICode InChI=1S/C29H26O7/c1-19(18-36-28(34)17-8-21-5-11-23(31)12-6-21)2-13-24-27(33)16-14-25(29(24)35)26(32)15-7-20-3-9-22(30)10-4-20/h2-12,14-17,30-31,33,35H,13,18H2,1H3/b15-7+,17-8+,19-2+
SMILES c1(ccc(cc1)/C=C/C(=O)OC/C(=C/Cc1c(ccc(c1O)C(=O)/C=C/c1ccc(cc1)O)O)/C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum geminiflorum Ref.
PlantaeMoraceaeArtocarpus dadah Ref.
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