input word = C00034471

Metabolite InformationStructural formula
Name Nummularine B
Daechuine S27
Formula C32H41N5O6
Mw 591.30568408
CAS RN 53947-96-9
C_ID C00034471 ,
InChIKey ZAVCUVYFGQXSRX-FYWRMAATNA-N
InChICode InChI=1S/C32H41N5O6/c1-19(2)27(36-29(38)20(3)33-4)32(41)37-16-14-26-28(37)31(40)35-24(17-21-9-7-6-8-10-21)30(39)34-15-13-22-18-23(43-26)11-12-25(22)42-5/h6-13,15,18-20,24,26-28,33H,14,16-17H2,1-5H3,(H,34,39)(H,35,40)(H,36,38)/b15-13-/t20-,24+,26+,27+,28-/m1/s1
SMILES C1(=O)[C@H]2[C@@H](Oc3cc(/C=C\NC(=O)[C@@H](N1)Cc1ccccc1)c(cc3)OC)CCN2C(=O)[C@@H](NC(=O)[C@H](NC)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZiziphus jujuba Ref.
PlantaeRhamnaceaeZizyphus jujuba Ref.
PlantaeRhamnaceaeZizyphus jujube var. inermis Ref.
PlantaeRhamnaceaeZizyphus vulgaris var.spinosus Ref.
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OrganismZizyphus vulgaris var.spinosus
ReferenceMartinez-Luis,Phytochem.,68,(2007),1882