input word = C00057272

Metabolite InformationStructural formula
Name Physalin A
Formula C28H30O10
Mw 526.18389718
CAS RN 23027-91-0
C_ID C00057272
InChIKey VELDODQHYQSJOF-RPKVKFPNSA-N
InChICode InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3/t14-,15+,17+,18-,19-,23+,24-,25-,26-,27+,28-/m0/s1
SMILES O=C1[C@@]2(O)CC[C@@]3([H])[C@]([C@H](O)C=C(CC=C4)[C@]3(C)C4=O)([H])[C@](O)(C5=O)O[C@@]2([C@]5([H])[C@@](C)(C6=C)C[C@H]7OC6=O)[C@@]7(C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis alkekengi Ref.
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