input word = C00028949

Metabolite InformationStructural formula
Name Rugosanine A
Formula C30H43N5O7
Mw 585.31624876
CAS RN 110200-25-4
C_ID C00028949 ,
InChIKey AHOJGYTUHYNSQQ-ACCUITESNA-N
InChICode InChI=1S/C30H43N5O7/c1-8-18(4)25-28(38)31-13-11-20-15-21(9-10-22(20)41-7)42-23-12-14-35(26(23)29(39)33-25)30(40)24(17(2)3)32-27(37)19(5)34(6)16-36/h9-11,13,15-19,23-26H,8,12,14H2,1-7H3,(H,31,38)(H,32,37)(H,33,39)/t18-,19+,23-,24+,25-,26+/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](N(C)C=O)C)[C@@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZizyphus rugosa Ref.
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