input word = C00054944

Metabolite InformationStructural formula
Name Citrusin X
Formula C39H46N8O7
Mw 738.34894588
CAS RN 618432-64-7
C_ID C00054944
InChIKey POYYKUGPHZSHLA-XDIGFQIYSA-N
InChICode InChI=1S/C39H46N8O7/c48-33-22-42-35(50)28(19-24-9-2-1-3-10-24)43-36(51)30-13-6-17-46(30)38(53)29(20-25-21-40-27-12-5-4-11-26(25)27)44-37(52)31-14-7-18-47(31)39(54)32-15-8-16-45(32)34(49)23-41-33/h1-5,9-12,21,28-32,40H,6-8,13-20,22-23H2,(H,41,48)(H,42,50)(H,43,51)(H,44,52)/t28-,29-,30-,31-,32-/m0/s1
SMILES O=C1CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CN1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sp. Ref.
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