input word = C00043627

Metabolite InformationStructural formula
Name Kansuinin E
Formula C41H47NO14
Mw 777.29965522
CAS RN 672945-84-5
C_ID C00043627 ,
InChIKey ILKUUGNKCOAKED-CQKSLTDYNA-N
InChICode InChI=1S/C41H47NO14/c1-20-18-41(56-26(7)46)29(30(20)50-23(4)43)31(51-24(5)44)21(2)32(52-25(6)45)34(54-38(48)27-14-11-10-12-15-27)37(55-39(49)28-16-13-17-42-19-28)40(8,9)36-33(53-36)22(3)35(41)47/h10-17,19-20,22,29-34,36-37H,2,18H2,1,3-9H3/t20-,22+,29+,30-,31-,32-,33-,34+,36-,37-,41+/m0/s1
SMILES C=C1[C@H](OC(C)=O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2cccnc2)C(C)(C)[C@H]2O[C@H]2[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia kansui Ref.
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OrganismEuphorbia kansui
ReferencePan,J.Nat.Prod.,67,(2004),1548