input word = C00031019

Metabolite InformationStructural formula
Name Physagulin D
Formula C34H52O10
Mw 620.35604788
CAS RN 146713-92-0
C_ID C00031019 ,
InChIKey KRHHFPJGGBLAAH-SIBUXKRQNA-N
InChICode InChI=1S/C34H52O10/c1-16-11-25(43-31(41)21(16)14-35)17(2)22-7-8-23-20-6-5-18-12-19(42-32-30(40)29(39)28(38)26(15-36)44-32)13-27(37)34(18,4)24(20)9-10-33(22,23)3/h5,17,19-20,22-30,32,35-40H,6-15H2,1-4H3/t17-,19+,20-,22+,23-,24-,25+,26+,27-,28+,29-,30+,32+,33-,34-/m0/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2([C@H]1O)C)CC[C@@]1([C@H]3CC[C@@H]1[C@@H]([C@H]1CC(=C(C(=O)O1)CO)C)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata L. Ref.
PlantaeSolanaceaeWithania somnifera Ref.
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OrganismWithania somnifera
ReferenceZhao,Chem.Pharm.Bull.,50,(2002),760