input word = C00058343

Metabolite InformationStructural formula
Name Aceroside IX
Formula C30H40O12
Mw 592.25197674
CAS RN 130233-81-7
C_ID C00058343
InChIKey YNSRHXBCZUEEOS-UHFFFAOYSA-N
InChICode InChI=1S/C30H40O12/c31-16-30(38)17-40-23(27(30)37)15-39-28-25(35)24(34)26(36)29(42-28)41-22-13-8-18(9-14-22)3-1-2-4-20(32)10-5-19-6-11-21(33)12-7-19/h6-9,11-14,23-29,31,33-38H,1-5,10,15-17H2
SMILES O=C(CCCCc1ccc(OC2OC(OCC3OCC(O)(CO)C3O)C(O)C(O)C2O)cc1)CCc1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Aceraceae triflorum Ref.
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