input word = C00041368

Metabolite InformationStructural formula
Name Austronine
Formula C30H37NO13
Mw 619.22649028
CAS RN 910451-92-2
C_ID C00041368 ,
InChIKey PTEWEUOVIMGMBH-UHFFFAOYNA-N
InChICode InChI=1S/C30H37NO13/c1-14-8-9-18-17(7-6-10-31-18)26(38)41-12-27(4)20-19(34)11-29(13-40-15(2)32)22(36)21(35)24(43-25(14)37)28(5,39)30(29,44-27)23(20)42-16(3)33/h6-7,10,14,20-24,35-36,39H,8-9,11-13H2,1-5H3/t14-,20+,21+,22+,23-,24-,27-,28-,29-,30-/m0/s1
SMILES [C@H]1([C@]23[C@@]([C@H]4OC(=O)[C@H](CCc5c(C(=O)OC[C@](O3)([C@@H]1C(=O)C[C@@]2([C@@H]([C@H]4O)O)COC(=O)C)C)cccn5)C)(C)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeAustroplenckia populnea var.ovata Ref.
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