input word = C00006291

Metabolite InformationStructural formula
Name Isomollupentin 7,4'-dimethyl ether 2''-O-glucoside
Formula C28H32O14
Mw 592.17920573
CAS RN 77390-44-4
C_ID C00006291 ,
InChIKey URIBFXWZIUKTHQ-CTGFEYLMNA-N
InChICode InChI=1S/C28H32O14/c1-37-12-5-3-11(4-6-12)15-7-13(30)19-17(40-15)8-16(38-2)20(23(19)34)26-27(21(32)14(31)10-39-26)42-28-25(36)24(35)22(33)18(9-29)41-28/h3-8,14,18,21-22,24-29,31-36H,9-10H2,1-2H3/t14-,18+,21-,22-,24+,25-,26+,27-,28+/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)OC)O)[C@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraceaeAsterostigma riedelianum Ref.
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