input word = C00040899

Metabolite InformationStructural formula
Name Boletocrocin A
(+)-Boletocrocin A
Formula C26H32N2O8
Mw 500.21586601
CAS RN 220376-33-0
C_ID C00040899 ,
InChIKey OTBWMESMPGYGIA-VTNWEXGVNA-N
InChICode InChI=1S/C26H32N2O8/c1-3-19(2)24(26(35)36)28-22(30)17-15-13-11-9-7-5-4-6-8-10-12-14-16-21(29)27-20(25(33)34)18-23(31)32/h4-17,19-20,24H,3,18H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)(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(=O)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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