input word = C00055067

Metabolite InformationStructural formula
Name Bisavenanthramide B5
Formula C34H30N2O13
Mw 674.17478906
CAS RN 939790-89-3
C_ID C00055067
InChIKey LCLOWESPMIQSTF-XJYHXZFBSA-N
InChICode InChI=1S/C34H30N2O13/c1-47-25-11-15(3-9-23(25)39)29-27(31(41)35-21-7-5-17(37)13-19(21)33(43)44)28(30(49-29)16-4-10-24(40)26(12-16)48-2)32(42)36-22-8-6-18(38)14-20(22)34(45)46/h3-14,27-30,37-40H,1-2H3,(H,35,41)(H,36,42)(H,43,44)(H,45,46)/t27-,28+,29-,30-/m0/s1
SMILES OC1=C(OC)C=C([C@]2([H])O[C@](C3=CC=C(O)C(OC)=C3)([H])[C@@H](C(NC4=C(C(O)=O)C=C(O)C=C4)=O)[C@H]2C(NC5=C(C(O)=O)C=C(O)C=C5)=O)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeAvena sativa Ref.
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