input word = C00040659

Metabolite InformationStructural formula
Name Withangulatin H
(-)-Withangulatin H
Formula C29H42O9
Mw 534.28288294
CAS RN 946074-84-6
C_ID C00040659 ,
InChIKey NOHSWOPJQMNCOF-SHWRVNINNA-N
InChICode InChI=1S/C29H42O9/c1-14-9-21(37-23(32)15(14)2)26(5,33)29(35)20(31)13-27(34)18-11-22-28(38-22)12-16(36-6)10-19(30)25(28,4)17(18)7-8-24(27,29)3/h16-18,20-22,31,33-35H,7-13H2,1-6H3/t16-,17-,18+,20-,21+,22+,24-,25-,26+,27+,28+,29-/m0/s1
SMILES C1[C@@H](C[C@]23[C@](C1=O)([C@@H]1[C@@H](C[C@H]2O3)[C@]2([C@](CC1)([C@]([C@H](C2)O)(O)[C@]([C@H]1CC(=C(C(=O)O1)C)C)(C)O)C)O)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata Ref.
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