input word = C00040705

Metabolite InformationStructural formula
Name Ximaolide D
Formula C41H62O8
Mw 682.44446896
CAS RN 945974-90-3
C_ID C00040705 ,
InChIKey UGVMXCQHHHCDCW-WKRPKGAUNA-N
InChICode InChI=1S/C41H62O8/c1-24(2)28-21-32(42)27(5)12-10-11-25(3)20-34-31-22-40(8,48-34)29-15-17-38(6,46)36-16-18-39(7,49-36)35(44)14-13-26(4)19-30(29)41(31,23-33(28)43)37(45)47-9/h15,19-20,24-25,27-28,30-31,35-36,44,46H,10-14,16-18,21-23H2,1-9H3/b26-19+,29-15-,34-20-/t25-,27+,28-,30-,31+,35-,36-,38+,39-,40+,41+/m1/s1
SMILES COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)/C=C3OC(C)(C[C@@H]31)/C1=CC[C@](C)(O)[C@H]3CC[C@@](C)(O3)[C@H](O)CC/C(C)=C/[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeSarcophyton tortuosum Ref.
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OrganismSarcophyton tortuosum
ReferenceJia,J.Nat.Prod.,70,(2007),1158