input word = C00054711

Metabolite InformationStructural formula
Name 25,27-Dihydro-4,7-didehydro-7-deoxyphysalin A
Formula C28H30O9
Mw 510.18898256
CAS RN 134434-71-2
C_ID C00054711
InChIKey NSFHPMKDYVTYOY-AUOVBICQSA-N
InChICode InChI=1S/C28H30O9/c1-13-19(30)35-18-12-23(13,2)20-27(34)16-9-8-14-6-5-7-17(29)24(14,3)15(16)10-11-26(33)21(31)36-25(18,4)28(20,26)37-22(27)32/h5-9,13,15-16,18,20,33-34H,10-12H2,1-4H3/t13-,15+,16-,18+,20-,23-,24+,25+,26+,27+,28+/m1/s1
SMILES C[C@@H]1C(=O)O[C@H]2C[C@@]1(C)[C@@H]1[C@]3(O)C(=O)O[C@]14[C@@]2(C)OC(=O)[C@@]4(O)CC[C@H]1[C@H]3C=CC2=CC=CC(=O)[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis alkekengi Ref.
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OrganismPhysalis alkekengi
ReferenceKawai, M. et al., Tetrahedron, 1991, 47, 2103 (ir, pmr, cmr, ms)