input word = C00063627

Metabolite InformationStructural formula
Name Aegelinoside B
Formula C24H29NO8
Mw 459.18931691
CAS RN 1072443-46-9
C_ID C00063627
InChIKey ZWNXGPYGBYQKIY-RJUJUJGOSA-N
InChICode InChI=1S/C24H29NO8/c1-31-17-10-8-16(9-11-17)18(13-25-20(27)12-7-15-5-3-2-4-6-15)32-24-23(30)22(29)21(28)19(14-26)33-24/h2-12,18-19,21-24,26,28-30H,13-14H2,1H3,(H,25,27)/b12-7-/t18-,19-,21-,22+,23-,24-/m1/s1
SMILES COc1ccc(C(CNC(=O)C=Cc2ccccc2)OC2OC(CO)C(O)C(O)C2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeAegle marmelos Ref.
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OrganismAegle marmelos
ReferenceSingh, B and Sharma, R. A., Secondary Metabolites of Medicinal Plants, Vol. 1, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.