input word = C00028129

Metabolite InformationStructural formula
Name Daechuine S7
(-)-Daechuine S7
Formula C28H42N4O5
Mw 514.31552048
CAS RN 123089-22-5
C_ID C00028129 ,
InChIKey XCEJQXSRAOHPDM-MVADYVAGNA-N
InChICode InChI=1S/C28H42N4O5/c1-8-17(3)23-26(33)29-14-12-19-16-20(10-11-21(19)36-7)37-22-13-15-32(25(22)27(34)30-23)28(35)24(31(5)6)18(4)9-2/h10-12,14,16-18,22-25H,8-9,13,15H2,1-7H3,(H,29,33)(H,30,34)/b14-12+/t17-,18-,22+,23+,24-,25-/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@H](CC)C)N(C)C)[C@@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZizyphus jujuba var.inermis Ref.
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