input word = C00032537

Metabolite InformationStructural formula
Name Yadanziolide S
(+)-Yadanziolide S
Formula C20H28O9
Mw 412.17333249
CAS RN 503606-30-2
C_ID C00032537 ,
InChIKey LPOJQTWOQFLBSI-UTGUWPHNNA-N
InChICode InChI=1S/C20H28O9/c1-7-5-9(21)13(23)17(2)8(7)6-10-18(3)12(17)11(22)14(24)19(4,27)20(18,28)15(25)16(26)29-10/h5,8,10-15,22-25,27-28H,6H2,1-4H3/t8-,10+,11+,12+,13+,14-,15-,17-,18+,19+,20-/m0/s1
SMILES C1(=O)C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@]3([C@@H](C2)OC(=O)[C@@H]([C@]3([C@@]([C@H]([C@@H]1O)O)(O)C)O)O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeBrucea japonica Ref.
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OrganismBrucea japonica
ReferenceItokawa,J.Nat.Med.,62,(2008),263