input word = C00057005

Metabolite InformationStructural formula
Name Mollioside
Formula C26H40O10
Mw 512.2621475
CAS RN 1270003-03-6
C_ID C00057005
InChIKey ATWHGWYKSFRYBN-RNIUFYAFSA-N
InChICode InChI=1S/C26H40O10/c1-23-6-3-7-24(2)19(23)21(36-22(24)31)33-11-25-8-13(4-5-15(23)25)26(32,10-25)12-34-20-18(30)17(29)16(28)14(9-27)35-20/h13-21,27-30,32H,3-12H2,1-2H3/t13-,14-,15+,16-,17+,18-,19+,20-,21-,23+,24-,25+,26+/m1/s1
SMILES O[C@H]1[C@H](OC[C@@]2(O)C[C@@]3(CO[C@@](O4)([H])[C@@]5([H])[C@@]6(C)CCC[C@@]5(C)C4=O)[C@@]6([H])CC[C@@]2(C3)[H])O[C@H](CO)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeCastanea mollissima Ref.
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