input word = C00031918

Metabolite InformationStructural formula
Name Ixocarpalactone A
Formula C28H40O8
Mw 504.27231825
CAS RN 71801-45-1
C_ID C00031918 ,
InChIKey PHBPDHFIJFLEGD-XOEHZKBCNA-N
InChICode InChI=1S/C28H40O8/c1-12-13(2)24(33)35-21(12)23(32)27(5,34)22-17(29)11-16-14-10-20-28(36-20)19(31)7-6-18(30)26(28,4)15(14)8-9-25(16,22)3/h6-7,12-17,19-23,29,31-32,34H,8-11H2,1-5H3/t12-,13-,14-,15+,16+,17+,19+,20-,21-,22+,23-,25+,26+,27-,28-/m1/s1
SMILES C1=C[C@@H]([C@]23[C@](C1=O)([C@@H]1[C@@H](C[C@H]2O3)[C@H]2[C@](CC1)([C@H]([C@H](C2)O)[C@@]([C@@H]([C@@H]1OC(=O)[C@@H]([C@H]1C)C)O)(C)O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis ixocarpa Ref.
PlantaeSolanaceaePhysalis philadelphica Ref.
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