input word = C00054939

Metabolite InformationStructural formula
Name Citrusin VII
Formula C39H53N7O11
Mw 795.38030559
CAS RN 460730-18-1
C_ID C00054939
InChIKey MWNOTYPKDQELBA-DHQSPRHPSA-N
InChICode InChI=1S/C39H53N7O11/c1-20(2)15-26-37(55)46-33(22(5)47)39(57)45-32(21(3)4)38(56)44-28(17-24-11-13-25(48)14-12-24)35(53)43-27(16-23-9-7-6-8-10-23)34(52)40-19-30(49)41-29(18-31(50)51)36(54)42-26/h6-14,20-22,26-29,32-33,47-48H,15-19H2,1-5H3,(H,40,52)(H,41,49)(H,42,54)(H,43,53)(H,44,56)(H,45,57)(H,46,55)(H,50,51)/t22-,26+,27+,28+,29+,32+,33+/m1/s1
SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus medica var. sarcodactylis Ref.
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