input word = C00040660

Metabolite InformationStructural formula
Name Withaphysalin A
Formula C28H34O6
Mw 466.23553882
CAS RN 57423-72-0
C_ID C00040660 ,
InChIKey XXDCTQHRVNTDTI-DXEJRYQDNA-N
InChICode InChI=1S/C28H34O6/c1-15-14-22(33-23(30)16(15)2)26(4)20-11-13-28(32)19-9-8-17-6-5-7-21(29)25(17,3)18(19)10-12-27(20,28)24(31)34-26/h5,7-8,18-20,22,32H,6,9-14H2,1-4H3/t18-,19+,20+,22+,25-,26+,27+,28+/m0/s1
SMILES C1=CCC2=CC[C@@H]3[C@@H]([C@]2(C1=O)C)CC[C@@]12[C@]3(CC[C@@H]1[C@@](OC2=O)([C@@H]1OC(=O)C(=C(C1)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata Ref.
PlantaeSolanaceaePhysalis minima Ref.
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