input word = C00015706

Metabolite InformationStructural formula
Name 14-Acetoxy-22,23-dihydro-15,23-dihydroxyirpexan
Formula C38H68O11
Mw 700.47616301
CAS RN 313354-30-2
C_ID C00015706 ,
InChIKey AQZJZMMXWUPXJT-RKCLKIRRNA-N
InChICode InChI=1S/C38H68O11/c1-25(2)14-10-15-26(3)17-12-23-38(9,46)31(49-35-34(43)33(42)32(41)29(24-39)48-35)20-19-30(47-28(5)40)37(8,45)22-13-18-27(4)16-11-21-36(6,7)44/h14,17-18,29-35,39,41-46H,10-13,15-16,19-24H2,1-9H3/b26-17+,27-18+/t29-,30+,31+,32-,33+,34+,35+,37+,38-/m1/s1
SMILES [C@@H](OC(=O)C)([C@](CC/C=C(/CCCC(C)(C)O)\C)(O)C)CC[C@H](O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@](O)(C)CC/C=C(\C)/CCC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiMeruliaceaeIrpex sp. 93028 Ref.
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OrganismIrpex sp. 93028
ReferenceSilberborth,J.Antibiotics 53,(2000),1137