input word = C00056575

Metabolite InformationStructural formula
Name 23-Hydroxyphysalolactone
Formula C28H39ClO9
Mw 554.22826055
CAS RN 118194-16-4
C_ID C00056575
InChIKey KWITZWMDVMDLJL-TULJJTAQSA-N
InChICode InChI=1S/C28H39ClO9/c1-13-14(2)22(33)38-21(20(13)32)25(5,34)27(36)11-10-26(35)16-12-17(29)28(37)19(31)7-6-18(30)24(28,4)15(16)8-9-23(26,27)3/h6-7,15-17,19-21,31-32,34-37H,8-12H2,1-5H3/t15-,16+,17-,19-,20+,21+,23-,24-,25-,26+,27-,28-/m0/s1
SMILES O=C1[C@@]2(C)[C@@]([C@@H](Cl)C[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3(O)CC[C@@]4(O)[C@](O)(C)[C@@]5([H])[C@H](O)C(C)=C(C)C(O5)=O)(O)[C@@H](O)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis peruviana Ref.
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