input word = C00054431

Metabolite InformationStructural formula
Name Corchorusoside A
Formula C35H54O14
Mw 698.35135643
CAS RN 210637-15-3
C_ID C00054431
InChIKey HZPHLEDGOKBFMS-AIKPNEOWSA-N
InChICode InChI=1S/C35H54O15/c1-15-29(50-31-27(42)25(40)24(39)21(13-36)49-31)26(41)28(43)30(47-15)48-17-4-7-32(2)23-19(5-8-34(32,44)11-17)35(45)9-6-18(16-10-22(38)46-14-16)33(35,3)12-20(23)37/h10,15,17-21,23-31,36-37,39-45H,4-9,11-14H2,1-3H3/t15-,17+,18-,19-,20-,21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32-,33-,34+,35+/m1/s1
SMILES C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeCorchorus olitorius Ref.
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