input word = C00050612

Metabolite InformationStructural formula
Name (+)-Medioresinol di-O-beta-D-glucopyranoside
Formula C33H44O17
Mw 712.25784998
CAS RN 88142-63-6
C_ID C00050612
InChIKey WENLQSBQPMFCOA-LPEUMLFWNA-N
InChICode InChI=1S/C33H44O17/c1-42-18-6-13(4-5-17(18)47-32-27(40)25(38)23(36)21(9-34)48-32)29-15-11-46-30(16(15)12-45-29)14-7-19(43-2)31(20(8-14)44-3)50-33-28(41)26(39)24(37)22(10-35)49-33/h4-8,15-16,21-30,32-41H,9-12H2,1-3H3/t15-,16-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,32+,33-/m0/s1
SMILES COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax senticosus Ref.
PlantaeEucommiaceaeEucommia ulmoides Ref.
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