input word = C00040294

Metabolite InformationStructural formula
Name Shizukaol D
Formula C33H38O9
Mw 578.25158281
CAS RN 142279-42-3
C_ID C00040294 ,
InChIKey UEHIWILSQZCXQY-LMBSCLPQNA-N
InChICode InChI=1S/C33H38O9/c1-12(29(38)40-5)24-26-25-16(14-6-20(14)32(25,4)28(37)27(24)36)8-23-31(3)19-7-15(19)18(11-41-13(2)35)21(31)9-22-17(10-34)30(39)42-33(22,23)26/h14-15,18-21,23,26,28,34,37H,6-11H2,1-5H3/b24-12-/t14-,15-,18-,19-,20-,21+,23+,26+,28+,31+,32+,33+/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)CO)[C@@H]([C@@H]1[C@H]2C1)COC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChloranthaceaeChloranthus fortunei Ref.
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