input word = C00014056

Metabolite InformationStructural formula
Name Isocytisoside 3''-O-beta-D-xylopyranoside
Formula C27H30O14
Mw 578.16355567
CAS RN
C_ID C00014056 ,
InChIKey AKSCHGHGSDJKKV-WEYLGSGVNA-N
InChICode InChI=1S/C27H30O14/c1-37-11-4-2-10(3-5-11)15-6-12(29)18-16(39-15)7-13(30)19(22(18)34)25-24(36)26(21(33)17(8-28)40-25)41-27-23(35)20(32)14(31)9-38-27/h2-7,14,17,20-21,23-28,30-36H,8-9H2,1H3/t14-,17+,20-,21-,23-,24+,25+,26+,27+/m1/s1
SMILES COc1ccc(-c2cc(=O)c3c(O)c([C@@H]4OC(CO)[C@@H](O)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)C5O)C4O)c(O)cc3o2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraceaeAnthurium versicolor Ref.
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OrganismAnthurium versicolor
ReferenceAquino,J.Nat.Prod.,64,(2001),1019