input word = C00057016

Metabolite InformationStructural formula
Name Physangulide
Formula C28H42O9
Mw 522.28288294
CAS RN 131749-58-1
C_ID C00057016
InChIKey OREAQOXKZSQPCV-RJMVIQDZSA-N
InChICode InChI=1S/C28H42O9/c1-23-9-8-15-13(10-19-28(37-19)21(31)16(29)11-18(30)25(15,28)3)14(23)6-7-17(23)26(4,34)20-12-24(2,33)27(5,35)22(32)36-20/h13-17,19-21,29,31,33-35H,6-12H2,1-5H3/t13-,14-,15-,16-,17-,19?,20-,21-,23-,24-,25-,26+,27-,28?/m0/s1
SMILES C[C@](O)([C@@H]1C[C@](C)(O)[C@@](C)(O)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3CC4OC45[C@@H](O)[C@@H](O)CC(=O)[C@]5(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata Ref.
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