input word = C00038158

Metabolite InformationStructural formula
Name 13'-Acetylshizukaol C
Formula C41H48O14
Mw 764.30440624
CAS RN 1006590-94-8
C_ID C00038158 ,
InChIKey BZYXGNOWZQQMDJ-SQWBYCJKNA-N
InChICode InChI=1S/C41H48O14/c1-17(14-42)9-30(45)54-16-40(50)25-12-24(25)38(3)26(40)13-23-21(15-53-29(44)8-7-28(43)51-5)37(49)55-41(23)27(38)11-20-19-10-22(19)39(4)32(20)33(41)31(34(46)35(39)47)18(2)36(48)52-6/h9,19,22,24-27,33,35,42,47,50H,7-8,10-16H2,1-6H3/b17-9+,31-18-/t19-,22-,24-,25+,26-,27+,33+,35+,38-,39+,40+,41+/m1/s1
SMILES [C@]12([C@@H](CC3=C(C(=O)O[C@@]43[C@H]1CC1=C3[C@@H]4/C(=C(\C)/C(=O)OC)/C(=O)[C@@H]([C@]3([C@H]3[C@@H]1C3)C)O)COC(=O)CCC(=O)OC)[C@@]([C@@H]1[C@H]2C1)(COC(=O)/C=C(\C)/CO)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChloranthaceaeChloranthus fortunei Ref.
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OrganismChloranthus fortunei
ReferenceWang,J.Nat.Prod.,71,(2008),674