input word = C00057779

Metabolite InformationStructural formula
Name Vamonolide
Formula C28H40O6
Mw 472.28248901
CAS RN 114332-66-0
C_ID C00057779
InChIKey LTYSVVJJHYDSMR-MFVXWLEWSA-N
InChICode InChI=1S/C28H40O6/c1-14-13-19(33-24(30)15(14)2)16(3)17-9-12-27(31)21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,14-19,21-23,31-32H,8-13H2,1-5H3/t14-,15+,16-,17+,18-,19+,21-,22-,23-,25+,26-,27+,28-/m0/s1
SMILES C[C@@H]([C@H]1CC[C@@]2(O)[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1C[C@H](C)[C@@H](C)C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata Ref.
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