input word = C00031873

Metabolite InformationStructural formula
Name Hyuganoside IIIb
Formula C26H34O12
Mw 538.20502655
CAS RN 838845-08-2
C_ID C00031873 ,
InChIKey KMRNHQMTDWXUBS-ONEGZZNKNA-N
InChICode InChI=1S/C26H34O12/c1-34-18-11-15(6-7-16(18)29)22(30)20(12-27)37-17-8-5-14(10-19(17)35-2)4-3-9-36-26-25(33)24(32)23(31)21(13-28)38-26/h3-8,10-11,20-33H,9,12-13H2,1-2H3/b4-3+/t20-,21+,22+,23+,24+,25+,26-/m1/s1
SMILES c1c(ccc(c1OC)O[C@H](CO)[C@@H](O)c1cc(c(cc1)O)OC)/C=C/CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica furcijuga Ref.
PlantaeIcacinaceaeIodes cirrhosa Ref.
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OrganismIodes cirrhosa
ReferenceGan,J.Nat.Prod.,71,(2008),647