input word = C00056427

Metabolite InformationStructural formula
Name Ixocarpanolide
Formula C28H40O6
Mw 472.28248901
CAS RN 108157-59-1
C_ID C00056427
InChIKey MLMDWCVFKUVZGH-AKAZKRMISA-N
InChICode InChI=1S/C28H40O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,14-18,20-23,31-32H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1
SMILES C[C@H]1C[C@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis ixocarpa Ref.
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