input word = C00001988

Metabolite InformationStructural formula
Name Adouetine X
Formula C28H44N4O4
Mw 500.33625592
CAS RN 19542-37-1
C_ID C00001988 ,
InChIKey OMVRKRVDDRUXPW-QIUVODOKNA-N
InChICode InChI=1S/C28H44N4O4/c1-9-19(6)23-27(34)29-15-14-20-10-12-21(13-11-20)36-25(18(4)5)24(28(35)30-23)31-26(33)22(32(7)8)16-17(2)3/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,34)(H,30,35)(H,31,33)/b15-14-/t19-,22-,23-,24-,25-/m0/s1
SMILES c12ccc(cc1)/C=C\NC(=O)[C@@H](NC(=O)[C@H]([C@@H](O2)C(C)C)NC(=O)[C@H](CC(C)C)N(C)C)[C@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeMelochia chamaedrys Ref.
PlantaeMalvaceaeWaltheria americana Ref.
PlantaeRhamnaceaeCeanothus americanus Ref.
PlantaeRhamnaceaeZizyphus jujuba var.inermis Ref.
zoom in