input word = C00040704

Metabolite InformationStructural formula
Name Ximaolide C
Formula C41H63ClO8
Mw 718.4211467
CAS RN 945974-89-0
C_ID C00040704 ,
InChIKey RPIADLQRFXRNHC-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(48)49-9)17-25(4)13-14-35(47)40(8)16-15-36(50-40)39(7,42)21-34(37)46/h17,23-24,26,28-30,34-36,46-47H,10-16,18-22H2,1-9H3/b25-17-/t24-,26+,28+,29-,30+,34+,35+,36+,39-,40-,41+/m1/s1
SMILES [C@@H]1(CCC[C@H](CC(=O)[C@@H]2[C@@](CC(=O)[C@@H](CC1=O)C(C)C)([C@@H]1C(=C(C2)C)[C@H](C[C@]([C@@H]2CC[C@]([C@H](CC/C(=C\1)/C)O)(O2)C)(Cl)C)O)C(=O)OC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeSarcophyton tortuosum Ref.
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