input word = C00054710

Metabolite InformationStructural formula
Name 4,7-Didehydroneophysalin B
Formula C28H28O9
Mw 508.17333249
CAS RN 134461-76-0
C_ID C00054710
InChIKey KUSIVZBQAMNZCO-MVBDKYCCSA-N
InChICode InChI=1S/C28H28O9/c1-23-11-18-25(3)28-20(23)27(22(32)37-28,34-12-16(23)19(30)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)21(31)36-25/h4-8,14-16,18,20,33H,9-12H2,1-3H3/t14-,15+,16-,18+,20+,23+,24-,25-,26-,27-,28-/m0/s1
SMILES O=C1C=CC=C([C@@]21C)C=C[C@]3([H])[C@]2([H])CC[C@@]4(O)[C@]5(OC6=O)[C@@]7([H])[C@@]36OC[C@](C8=O)([H])[C@@]7(C)C[C@@H](O8)[C@]5(C)OC4=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis alkekengi Ref.
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