input word = C00058552

Metabolite InformationStructural formula
Name Javanicinoside L
Formula C27H42O12
Mw 558.26762681
CAS RN 141238-31-5
C_ID C00058552
InChIKey CPZDTFAMKHZLGY-KUVSIHKUSA-N
InChICode InChI=1S/C27H42O12/c1-10-6-12(36-5)22(33)25(2)11(10)7-15-26(3)14(27(4,35)23(34)20(32)21(25)26)8-16(38-15)39-24-19(31)18(30)17(29)13(9-28)37-24/h6,10-11,13-21,23-24,28-32,34-35H,7-9H2,1-5H3/t10-,11+,13-,14-,15-,16+,17-,18+,19-,20+,21-,23-,24+,25+,26-,27+/m1/s1
SMILES COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@H]4[C@](C)(O)[C@H](O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaePicrasma javanica Ref.
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