input word = C00008213

Metabolite InformationStructural formula
Name Prunin 3'',6''-di-p-coumarate
Formula C39H34O14
Mw 726.1948558
CAS RN 84823-66-5
C_ID C00008213 ,
InChIKey YHSNRKOEKHUGSK-IOAISEJJNA-N
InChICode InChI=1S/C39H34O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-36(47)38(53-34(46)16-6-22-3-11-25(41)12-4-22)37(48)39(52-32)50-27-17-28(43)35-29(44)19-30(51-31(35)18-27)23-7-13-26(42)14-8-23/h1-18,30,32,36-43,47-48H,19-20H2/b15-5+,16-6+/t30-,32+,36+,37+,38-,39+/m0/s1
SMILES O=C(/C=C/c1ccc(O)cc1)OCC1O[C@@H](Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)CC3=O)C(O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeMabea caudata Ref.
PlantaeLabiataeAnisomeles ovata Ref.
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