input word = C00048842

Metabolite InformationStructural formula
Name Rhizochalin B
Formula C38H76N2O9
Mw 704.55508204
CAS RN 1187303-44-1
C_ID C00048842 ,
InChIKey CRPDKOMTSCJBPS-YWKITZDSNA-N
InChICode InChI=1S/C38H76N2O9/c1-4-5-25-47-31(26-30(42)21-17-13-12-15-19-23-32(43)28(2)39)22-18-14-10-8-6-7-9-11-16-20-24-33(29(3)40)48-38-37(46)36(45)35(44)34(27-41)49-38/h28-29,31-38,41,43-46H,4-27,39-40H2,1-3H3/t28-,29-,31+,32-,33-,34-,35-,36+,37-,38+/m1/s1
SMILES C[C@H]([C@@H](CCCCCCCC(=O)C[C@H](CCCCCCCCCCCC[C@H]([C@H](N)C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OCCCC)O)N
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Oceanapia sp. Ref.
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