input word = C00035875

Metabolite InformationStructural formula
Name Longiside B
Sitosterol 3-O-beta-glucopyranoside
Sitosterol-3beta-glucoside
Formula C51H90O7
Mw 814.66865523
CAS RN 18749-71-8
C_ID C00035875 ,
InChIKey JCLYMCVRBRHEHI-QDUBRWFINA-N
InChICode InChI=1S/C51H90O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(52)56-34-44-46(53)47(54)48(55)49(58-44)57-39-29-31-50(6)38(33-39)25-26-40-42-28-27-41(51(42,7)32-30-43(40)50)36(5)23-24-37(9-2)35(3)4/h25,35-37,39-44,46-49,53-55H,8-24,26-34H2,1-7H3/t36-,37-,39+,40+,41-,42+,43+,44-,46-,47+,48-,49-,50+,51-/m1/s1
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H](C(C)CC[C@@H](CC)C(C)C)[C@@]5(C)CC[C@@H]43)C2)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona glabra Ref.
PlantaeAsteraceaeAntennaria geyeri Ref.
PlantaeLabiataeMentha longifolia Ref.
PlantaeLabiataeSalvia aegyptiaca Ref.
PlantaeMusaceaeMusa paradisiaca Ref.
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OrganismAnnona glabra
Referencehttps://doi.org/10.1002/jccs.200000124