input word = C00011314

Metabolite InformationStructural formula
Name Chaetoglobosin J
Formula C32H36N2O4
Mw 512.26750765
CAS RN 65745-47-3
C_ID C00011314 ,
InChIKey XSYISNGSIFFBMR-RHQXZOPGNA-N
InChICode InChI=1S/C32H36N2O4/c1-18-8-7-9-23-15-19(2)21(4)29-26(16-22-17-33-25-11-6-5-10-24(22)25)34-31(38)32(23,29)28(36)13-12-27(35)30(37)20(3)14-18/h5-7,9-15,17-18,21,23,26,29-30,33,37H,8,16H2,1-4H3,(H,34,38)/b9-7+,13-12+,20-14+/t18-,21+,23-,26-,29-,30+,32+/m0/s1
SMILES c1c2c(ccc1)c(c[nH]2)C[C@@H]1NC(=O)[C@]23C(=O)/C=C/C(=O)[C@@H](/C(=C/[C@H](C/C=C/[C@H]3C=C([C@H]([C@@H]12)C)C)C)/C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiChaetomiaceaeChaetomium globosum Ref.
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