input word = C00040703

Metabolite InformationStructural formula
Name Ximaolide B
Formula C41H63ClO8
Mw 718.4211467
CAS RN 945974-88-9
C_ID C00040703 ,
InChIKey JLHAOQMKTFIUTM-UQQQWYQINA-N
InChICode InChI=1S/C41H63ClO8/c1-23(2)28-20-31(43)26(5)12-10-11-24(3)18-32(44)29-19-27(6)37-30(41(29,22-33(28)45)38(47)49-9)17-25(4)13-14-36-40(8,50-36)16-15-35(42)39(7,48)21-34(37)46/h17,23-24,26,28-30,34-36,46,48H,10-16,18-22H2,1-9H3/b25-17-/t24-,26-,28+,29-,30-,34?,35+,36-,39+,40+,41+/m0/s1
SMILES COC(=O)C12CC(=O)C(C(C)C)CC(=O)C(C)CCCC(C)CC(=O)C1CC(C)=C1C(O)CC(C)(O)C(Cl)CCC3(C)OC3CC/C(C)=CC12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeSarcophyton tortuosum Ref.
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