input word = C00048821

Metabolite InformationStructural formula
Name Phorbasin F
Formula C44H65NO9S
Mw 783.43800341
CAS RN 1023993-35-2
C_ID C00048821 ,
InChIKey WDGHVYJKVQZOLD-UVENHEJHNA-N
InChICode InChI=1S/C44H65NO9S/c1-27(2)14-10-16-29(5)18-12-20-31(7)37-36(47)24-34(40(48)42(37)50)25-45-22-23-55(52,53)26-35-39(45)44(54-33(9)46)38(43(51)41(35)49)32(8)21-13-19-30(6)17-11-15-28(3)4/h10-13,16-21,24,27-30,35-39,42-44,47,50-51H,14-15,22-23,25-26H2,1-9H3/b16-10+,17-11+,18-12+,19-13+,31-20+,32-21+/t29-,30+,35-,36-,37-,38+,39-,42+,43+,44+/m0/s1
SMILES C1S(=O)(=O)CCN([C@H]2[C@H]1C(=O)[C@@H]([C@H]([C@H]2OC(=O)C)/C(=C/C=C/[C@@H](/C=C/CC(C)C)C)/C)O)CC1=C[C@@H]([C@@H]([C@H](C1=O)O)/C(=C/C=C/[C@H](/C=C/CC(C)C)C)/C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Phorbas sp. Ref.
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