input word = C00028983

Metabolite InformationStructural formula
Name Segetalin B
Vaccarin A
Formula C24H32N6O5
Mw 484.24341818
CAS RN 164991-89-3
C_ID C00028983 ,
InChIKey COCWHNZDSPDAKG-VURNHSPONA-N
InChICode InChI=1S/C24H32N6O5/c1-12(2)20-24(35)27-14(4)22(33)29-18(10-16-9-15-7-5-6-8-17(15)28-16)23(34)26-13(3)21(32)25-11-19(31)30-20/h5-9,12-14,18,20,28H,10-11H2,1-4H3,(H,25,32)(H,26,34)(H,27,35)(H,29,33)(H,30,31)/t13-,14-,18-,20-/m0/s1
SMILES C1(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N1)C)Cc1cc2c([nH]1)cccc2)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeVaccaria segetalis Ref.
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