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 O=C([C@@](O)(C)[C@@](C)(O)C1)O[C@]1([H])[C@@](O)(C)[C@@]2([H])CC[C@@]3([H])[C@]4([H])CC5C([C@@]6(C)[C@@]4([H])CC[C@@]32C)(O5)[C@@H](O)[C@@H](O)CC6=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata Ref.
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