input word = C00015230

Metabolite InformationStructural formula
Name Neosordarin
Formula C36H50O11
Mw 658.33531244
CAS RN 439665-94-8
C_ID C00015230 ,
InChIKey ZYLVYEPSNXRLDN-HMHOWHNZNA-N
InChICode InChI=1S/C36H50O11/c1-18(2)27-13-23-14-34(16-37)26-11-8-19(3)25(26)15-35(23,36(27,34)33(42)43)17-45-32-28(40)30(29(44-7)22(6)46-32)47-31(41)20(4)12-24(39)10-9-21(5)38/h9-10,12-13,16,18-19,21-23,25-26,28-30,32,38,40H,8,11,14-15,17H2,1-7H3,(H,42,43)/b10-9+,20-12-/t19-,21+,22+,23+,25-,26-,28+,29+,30-,32+,34+,35+,36+/m1/s1
SMILES [C@@H]12[C@H]([C@@]3([C@@]4([C@](C1)([C@@H](C=C4C(C)C)C3)CO[C@@H]1[C@H]([C@@H](OC(=O)/C(=C\C(=O)/C=C/[C@@H](O)C)/C)[C@H]([C@@H](O1)C)OC)O)C(=O)O)C=O)CC[C@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiSordariaceaeSordaria araneosa Ref.
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OrganismSordaria araneosa
ReferenceDavoli,J. Antibiotics,55,(2002),377