input word = C00055066

Metabolite InformationStructural formula
Name Bisavenanthramide B2
Formula C34H30N2O13
Mw 674.17478906
CAS RN 939790-86-0
C_ID C00055066
InChIKey MLDHTJRGLRJBHT-PRMIEGHPSA-N
InChICode InChI=1S/C34H30N2O13/c1-48-25-11-15(3-9-23(25)39)27(16-4-10-24(40)26(12-16)49-2)28-29(30(41)35-21-7-5-17(37)13-19(21)33(44)45)32(43)36(31(28)42)22-8-6-18(38)14-20(22)34(46)47/h3-14,27-29,32,37-40,43H,1-2H3,(H,35,41)(H,44,45)(H,46,47)/t28-,29+,32+/m1/s1
SMILES OC1=CC=C(N2[C@@H](O)[C@H](C(NC3=C(C(O)=O)C=C(O)C=C3)=O)[C@@H](C(C4=CC(OC)=C(O)C=C4)C5=CC=C(O)C(OC)=C5)C2=O)C(C(O)=O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeAvena sativa Ref.
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