input word = C00016274

Metabolite InformationStructural formula
Name Halymecin B
Formula C48H86O19
Mw 966.57633057
CAS RN 167173-81-1
C_ID C00016274 ,
InChIKey NOMDKESBADZKCR-WWJIYBRENA-N
InChICode InChI=1S/C48H86O19/c1-6-10-14-18-32(51)22-38(66-48-47(61)46(60)45(59)40(30-49)67-48)28-43(57)64-36(20-16-12-8-3)24-34(53)26-42(56)65-37(21-17-13-9-4)27-39(62-31(5)50)29-44(58)63-35(19-15-11-7-2)23-33(52)25-41(54)55/h32-40,45-49,51-53,59-61H,6-30H2,1-5H3,(H,54,55)/t32-,33+,34+,35-,36-,37-,38-,39-,40+,45-,46-,47+,48+/m0/s1
SMILES C([C@H](C[C@H](CCCCC)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(=O)O[C@H](C[C@H](CC(=O)O[C@@H](CCCCC)C[C@H](OC(=O)C)CC(=O)O[C@@H](CCCCC)C[C@H](CC(=O)O)O)O)CCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium sp. FE-71-1 Ref.
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OrganismFusarium sp. FE-71-1
ReferenceChen,J. Antibiotics,49,(1996),998