input word = C00040900

Metabolite InformationStructural formula
Name Boletocrocin B
(+)-Boletocrocin B
Formula C26H33N3O7
Mw 499.23185043
CAS RN 220376-47-6
C_ID C00040900 ,
InChIKey WMLBQOCWBZNSJH-VTNWEXGVNA-N
InChICode InChI=1S/C26H33N3O7/c1-3-19(2)24(26(35)36)29-23(32)17-15-13-11-9-7-5-4-6-8-10-12-14-16-22(31)28-20(25(33)34)18-21(27)30/h4-17,19-20,24H,3,18H2,1-2H3,(H2,27,30)(H,28,31)(H,29,32)(H,33,34)(H,35,36)/b5-4+,8-6+,9-7+,12-10+,13-11+,16-14+,17-15+/t19-,20-,24-/m0/s1
SMILES CC[C@H](C)[C@H](NC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
FungiBoletaceaeBoletus laetissimus Hongo Ref.
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