input word = C00056833

Metabolite InformationStructural formula
Name Physanoside A
Formula C25H40O12
Mw 532.25197674
CAS RN 1062971-42-9
C_ID C00056833
InChIKey WDNYAORDIIYQKT-HVVCTIEVSA-N
InChICode InChI=1S/C25H40O12/c1-11-7-13(27)8-25(3,4)14(11)6-5-12(2)35-24-22(33)20(31)18(29)16(37-24)10-34-23-21(32)19(30)17(28)15(9-26)36-23/h5-7,12,14-24,26,28-33H,8-10H2,1-4H3/b6-5+/t12-,14-,15+,16+,17+,18+,19-,20-,21+,22+,23+,24+/m0/s1
SMILES CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@H](C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis alkekengi var. franchetii Ref.
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OrganismPhysalis alkekengi var. franchetii
ReferenceAasen, A.J. et al., Acta Chem. Scand., 1973, 27, 2107-2114

1974, 28, 285-288 (7E,9R-form, 3-ketone)