input word = C00018510

Metabolite InformationStructural formula
Name Antibiotic PR 1350
Formula C40H56O10
Mw 696.38734801
CAS RN 87501-14-2
C_ID C00018510 ,
InChIKey LKJYEAJRWPUOGW-YYJUKRNDNA-N
InChICode InChI=1S/C40H56O10/c1-23-13-15-33(3)25(19-41)9-7-11-27(33)35(23,5)17-29-37(21-45-37)39(43)31(47-29)49-40(44)32(50-39)48-30(38(40)22-46-38)18-36(6)24(2)14-16-34(4)26(20-42)10-8-12-28(34)36/h9-10,19-20,23-24,27-32,43-44H,7-8,11-18,21-22H2,1-6H3/t23-,24-,27-,28-,29-,30-,31-,32+,33-,34-,35-,36-,37+,38+,39+,40+/m1/s1
SMILES C1[C@H]([C@]([C@H]2[C@](C1)(C(=CCC2)C=O)C)(C[C@@H]1[C@]2([C@@]3([C@H](O1)O[C@]1([C@H](O3)O[C@@H]([C@@]31OC3)C[C@]1([C@@H]3CCC=C([C@]3(CC[C@H]1C)C)C=O)C)O)O)CO2)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiMyxotrichaceaeOidiodendron truncatum Ref.
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OrganismOidiodendron truncatum
ReferenceAndersen,J. Antibiotics,36,(1983),753