input word = C00050056

Metabolite InformationStructural formula
Name Delavayin B
Formula C32H42N6O7
Mw 622.31149774
CAS RN 186595-13-1
C_ID C00050056 ,
InChIKey PMMISECAXPWOSB-UHFFFAOYNA-N
InChICode InChI=1S/C32H42N6O7/c1-4-19(2)27-32(45)37-24(16-22-13-9-6-10-14-22)30(43)36-23(15-21-11-7-5-8-12-21)29(42)34-20(3)28(41)33-17-26(40)35-25(18-39)31(44)38-27/h5-14,19-20,23-25,27,39H,4,15-18H2,1-3H3,(H,33,41)(H,34,42)(H,35,40)(H,36,43)(H,37,45)(H,38,44)/t19-,20-,23+,24+,25-,27+/m1/s1
SMILES [C@@H]1(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC1=O)CO)[C@H](C)CC)Cc1ccccc1)Cc1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe L-His
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeStellaria delavayi Ref.
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