input word = C00028745

Metabolite InformationStructural formula
Name Nummularine T
Formula C33H41N5O7
Mw 619.3005987
CAS RN 99694-95-8
C_ID C00028745 ,
InChIKey DDDWNDPINMMNFU-FYWRMAATNA-N
InChICode InChI=1S/C33H41N5O7/c1-20(2)28(36-30(40)21(3)37(4)19-39)33(43)38-16-14-27-29(38)32(42)35-25(17-22-9-7-6-8-10-22)31(41)34-15-13-23-18-24(45-27)11-12-26(23)44-5/h6-13,15,18-21,25,27-29H,14,16-17H2,1-5H3,(H,34,41)(H,35,42)(H,36,40)/b15-13+/t21-,25-,27+,28+,29-/m0/s1
SMILES [C@H]1(NC(=O)[C@@H]2[C@H](Oc3cc(/C=C\NC1=O)c(cc3)OC)CCN2C(=O)[C@@H](C(C)C)NC(=O)[C@H](C)N(C=O)C)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZizyphus nummularia Ref.
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