input word = C00055065

Metabolite InformationStructural formula
Name Bisavenanthramide B1
Formula C34H28N2O12
Mw 656.16422438
CAS RN 939790-85-9
C_ID C00055065
InChIKey JMOYYZYUTHZHJE-XAZDILKDSA-N
InChICode InChI=1S/C34H28N2O12/c1-47-25-11-15(3-9-23(25)39)29-27-28(32(42)35(29)21-7-5-17(37)13-19(21)33(43)44)30(16-4-10-24(40)26(12-16)48-2)36(31(27)41)22-8-6-18(38)14-20(22)34(45)46/h3-14,27-30,37-40H,1-2H3,(H,43,44)(H,45,46)/t27-,28-,29+,30+/m1/s1
SMILES COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(O)cc4C(=O)O)[C@@H](c4ccc(O)c(OC)c4)[C@@H]3C(=O)N2c2ccc(O)cc2C(=O)O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeAvena sativa Ref.
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