input word = C00010742

Metabolite InformationStructural formula
Name Abelioside A
Formula C25H34O12
Mw 526.20502655
CAS RN 99891-69-7
C_ID C00010742 ,
InChIKey FOKXJCYJZHFCPG-VPXDYBTFNA-N
InChICode InChI=1S/C25H34O12/c1-3-13-14(4-5-26)16(23(32)35-17-6-12-7-19(28)33-9-15(12)11(17)2)10-34-24(13)37-25-22(31)21(30)20(29)18(8-27)36-25/h3,5,10-15,17-18,20-22,24-25,27,29-31H,1,4,6-9H2,2H3/t11-,12-,13-,14+,15+,17+,18-,20-,21+,22+,24+,25+/m1/s1
SMILES [C@@H]12[C@H]([C@H]([C@H](C1)OC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC=O)C=C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)C)COC(=O)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLinnaeaceae/Diervillaceae/Dipsacaceae/ValerianaceaeAbelia grandiflora Ref.
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