input word = C00042381

Metabolite InformationStructural formula
Name Chaetoglobosin 510
Formula C34H42N2O2
Mw 510.3246286
CAS RN 871982-61-5
C_ID C00042381 ,
InChIKey MMDCZRJSKCICND-FMXHRSNBNA-N
InChICode InChI=1S/C34H42N2O2/c1-6-26-23(4)19-25-14-11-13-22(3)18-21(2)12-7-10-17-30(37)34(25)31(26)32(36-33(34)38)24(5)28-20-35-29-16-9-8-15-27(28)29/h8-11,14-20,22,24-26,31-32,35H,6-7,12-13H2,1-5H3,(H,36,38)/b14-11+,17-10+,21-18-/t22-,24+,25-,26+,31-,32-,34+/m0/s1
SMILES [C@@H]1([C@@H]2[C@]3([C@H](C=C1C)/C=C/C[C@@H](/C=C(\CC/C=C/C3=O)/C)C)C(=O)N[C@H]2[C@@H](c1c2c([nH]c1)cccc2)C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate Secologanin
Organism
Kingdom Family Species Reference
FungiValsaceaePhomopsis asparagi Ref.
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OrganismPhomopsis asparagi
ReferenceChristian,J.Nat.Prod.,68,(2005),1592