input word = C00040656

Metabolite InformationStructural formula
Name Withangulatin E
(+)-Withangulatin E
Formula C29H42O8
Mw 518.28796832
CAS RN 946074-81-3
C_ID C00040656 ,
InChIKey NQRCUXGSABTIEO-FMNRGCLXNA-N
InChICode InChI=1S/C29H40O8/c1-15-13-21(36-23(31)16(15)2)26(5,32)28(34)12-11-27(33)18-14-22-29(37-22)20(35-6)8-7-19(30)25(29,4)17(18)9-10-24(27,28)3/h7-8,17-18,20-22,32-34H,9-14H2,1-6H3/t17-,18+,20-,21+,22+,24-,25-,26+,27+,28-,29+/m0/s1
SMILES C1=C[C@@H]([C@]23[C@](C1=O)([C@@H]1[C@@H](C[C@H]2O3)[C@]2([C@](CC1)([C@](CC2)(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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OrganismPhysalis angulata
ReferenceDamu,J.Nat.Prod.,70,(2007),1146