input word = C00003453

Metabolite InformationStructural formula
Name Mascaroside
Formula C26H36O11
Mw 524.22576199
CAS RN 55465-97-9
C_ID C00003453 ,
InChIKey SJBDVPKAXKLGPV-MUOKCUOGNA-N
InChICode InChI=1S/C26H36O11/c1-24-8-15(29)20-12(3-5-35-20)13(24)2-4-25-7-11(6-14(28)21(24)25)26(34,23(25)33)10-36-22-19(32)18(31)17(30)16(9-27)37-22/h3,5,11,13-14,16-19,21-23,27-28,30-34H,2,4,6-10H2,1H3/t11-,13-,14+,16-,17-,18-,19-,21+,22-,23-,24-,25-,26+/m1/s1
SMILES C1(=O)c2c([C@@H]3[C@@](C1)([C@H]1[C@@]4(CC3)C[C@@H](C[C@@H]1O)[C@@]([C@@H]4O)(O)CO[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)C)cco2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeCoffea vanneyi Ref.
PlantaeRubiaceaeCoffea vianneyi Ref.
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