input word = C00045006

Metabolite InformationStructural formula
Name Philadelphicalactone A
(-)-Philadelphicalactone A
Formula C28H40O7
Mw 488.27740363
CAS RN 444588-47-0
C_ID C00045006 ,
InChIKey ODFGLJQOCBLUPX-QQANTVPENA-N
InChICode InChI=1S/C28H40O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,14-18,20-22,30,32-33H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20-,21+,22+,24-,25-,26-,27+,28+/m0/s1
SMILES C[C@H]1C[C@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC(=O)[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDeprea subtriflora Ref.
PlantaeSolanaceaeWithania somnifera Ref.
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