input word = C00002071

Metabolite InformationStructural formula
Name (-)-Santiaguine
Formula C38H48N4O2
Mw 592.37772681
CAS RN 528-31-4
C_ID C00002071 ,
InChIKey OHNNTQXKHRISJP-URSPQPHYNA-N
InChICode InChI=1S/C38H48N4O2/c43-37(41-23-11-17-29(25-41)31-19-7-9-21-39-31)35-33(27-13-3-1-4-14-27)36(34(35)28-15-5-2-6-16-28)38(44)42-24-12-18-30(26-42)32-20-8-10-22-40-32/h1-6,13-16,25-26,31-36,39-40H,7-12,17-24H2/t31-,32-,33-,34+,35-,36+/m1/s1
SMILES C1CN[C@H](CC1)C1=CN(CCC1)C(=O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)N2C=C([C@@H]3NCCCC3)CCC2)[C@@H]1c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Lys L-Asp
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAdenocarpus commutatus Ref.
PlantaeFabaceaeAdenocarpus grandiflorus Ref.
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