input word = C00048911

Metabolite InformationStructural formula
Name Ximaolide G
(+)-Ximaolide G
Formula C45H68O11
Mw 784.47616301
CAS RN 1092087-68-7
C_ID C00048911 ,
InChIKey JJCYFFDBFYPTHQ-AQHSABMYNA-N
InChICode InChI=1S/C45H68O11/c1-25(2)32-22-35(48)28(5)14-12-13-26(3)20-36(49)33-21-29(6)41-34(45(33,23-37(32)50)42(51)53-11)19-27(4)15-16-40-44(10,56-31(8)47)18-17-39(55-40)43(9,52)24-38(41)54-30(7)46/h19,25-26,28,32-34,38-40,52H,12-18,20-24H2,1-11H3/b27-19-/t26-,28+,32-,33+,34-,38-,39+,40-,43+,44+,45+/m1/s1
SMILES C\1=C(\CC[C@@H]2[C@](CC[C@@H]([C@](C[C@H](C3=C(C[C@@H]4[C@]([C@H]13)(CC(=O)[C@H](CC(=O)[C@H](CCC[C@H](CC4=O)C)C)C(C)C)C(=O)OC)C)OC(=O)C)(O)C)O2)(OC(=O)C)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeSarcophyton tortuosum Ref.
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OrganismSarcophyton tortuosum
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165