input word = C00043389

Metabolite InformationStructural formula
Name Chiapenine ES-IV
Formula C34H41NO17
Mw 735.23744889
CAS RN 654670-31-2
C_ID C00043389 ,
InChIKey YSAMOJKSARGIAB-UHFFFAOYNA-N
InChICode InChI=1S/C34H41NO17/c1-15(36)46-14-33-26(49-17(3)38)22(40)21-24(48-16(2)37)34(33)32(7,45)25(23(41)27(33)50-18(4)39)51-29(43)30(5,44)11-10-20-19(9-8-12-35-20)28(42)47-13-31(21,6)52-34/h8-9,12,21,23-27,41,44-45H,10-11,13-14H2,1-7H3/t21-,23-,24+,25+,26-,27+,30-,31-,32+,33-,34+/m0/s1
SMILES [C@H]1([C@H]2[C@]3(O[C@@]41[C@@]([C@H](C2=O)OC(=O)C)([C@@H]([C@H]([C@H]([C@@]4(C)O)OC(=O)[C@@](CCc1c(C(=O)OC3)cccn1)(C)O)O)OC(=O)C)COC(=O)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus chiapensis Ref.
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