input word = C00040702

Metabolite InformationStructural formula
Name Ximaolide A
(+)-Ximaolide A
Formula C41H62O8
Mw 682.44446896
CAS RN 945974-87-8
C_ID C00040702 ,
InChIKey YHGSUJXFDCEMBD-AWQLFXJMNA-N
InChICode InChI=1S/C41H62O8/c1-23(2)28-20-31(42)26(5)12-10-11-24(3)18-32(43)29-19-27(6)37-30(41(29,22-33(28)44)38(46)47-9)17-25(4)13-14-35-39(7,48-35)16-15-36-40(8,49-36)21-34(37)45/h17,23-24,26,28-30,34-36,45H,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@@]2([C@@H](CC[C@@]3([C@@H](CC/C(=C\1)/C)O3)C)O2)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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OrganismSarcophyton tortuosum
ReferenceJia,J.Nat.Prod.,70,(2007),1158